Compound - Results

Imatinib

Java required.


Information Structure
Name Imatinib
Synonyms
112gi019
152459-95-5
1iep
1xbb
220127-57-1
4-(4-methyl-piperazin-1-ylmethyl)-n-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide
4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide Methanesulfonate
4-[(4-methylpiperazin-1-yl)methyl]-n-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
4-[(4-methylpiperazin-1-yl)methyl]-n-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
4-[(4-methylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide
ac-524
ac1l1k0z
akos000280662
alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-tolu-p-toluidide
benzamide, 4-((4-methyl)-1-piperazinyl)methyl)-n-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-
benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-
benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- (9ci)
bidd:gt0047
brd-k92723993-066-02-9
ccris 9076
Cgp 57148
CGP 57148B
chebi:45783
chembl941
cid5291
d08066
db00619
db03261
en002706
ft-0083542
glamox
glamox (tn)
gleevec
Glivec
hms2089d03
i01-1232
imatinib
imatinib (inn)
imatinib Free Base
imatinib Mesilate
imatinib Mesylate
imatinib Methansulfonate
imatinib [inn:ban]
imatinib, Sti571, Gleevec, Glivec
kinome_3724
ls-182208
ls-187106
n-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide
ncgc00159456-02
ncgc00159456-03
ncgc00159456-04
nchembio.117-comp23
nchembio.162-comp5
nchembio.282-comp6
nchembio.83-comp14
nsc743414
s2475_selleck
sti
STI 571
sti-571
sti571
stk617705
unii-bkj8m8g5hi
ATC L01XX28
L01XE01
CID 5291
CAS 152459955
Drugbank ID DB00619
TTD Drug ID DNC001383
SMILES CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC(NC4=NC=CC(=N4)C5=CC=CN=C5)=C(C)C=C3
Formula C29H31N7O
Molweight 493.603
Atoms 37
LogP 4.6121
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 8
CYP interactions
NameRelationsReferences
1A2Substrate umm
2C8Substrate Inhibitor umm
2C9Substrate Inhibitor umm
2C19Substrate umm
2D6Substrate Inhibitor umm
3A4Substrate Inhibitor medicine.iupui.edu/flockhart
9616191
umm
12006504
16122278
14612892
16122278
17180388
16286749
16122278
3A5Substrate Inhibitor 16122278
16122278
medicine.iupui.edu/flockhart
9616191
3A7Substrate medicine.iupui.edu/flockhart
Transporter
AC-No.NameReferences
O15245Solute carrier family 22 member 118669873
P08183ATP-binding cassette sub-family B member 112975485
P46721OATP121508937
Q8WUG5Solute carrier family 22 member 1716377569
Q99758ATP-binding cassette sub-family A member 319880777
Q9UNQ0ATP-binding cassette sub-family G member 218159130
Extrarenal fraction 0.95
Elimination half-life 18h
Gefitinib

Java required.


Information Structure
Name Gefitinib
Synonyms
184475-35-2
4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline
4-quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-
4-quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-4-morpholin)propoxy)-
4-quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-
6-(3-morpholinopropoxy)-n-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
ac-1556
ac1l3x0a
akos000280752
bcb03_000781
bio-0046
c419708
ccris 9011
chebi:188232
chebi:49668
chembl939
cid123631
cu-00000000396-1
d01977
db00317
db07998
ec-000.2409
en002708
ft-0081035
gefitini; Iressa
Gefitinib
gefitinib (jan/usan/inn)
gefitinib [usan]
gefitinib, Iressa, Zd1839
hms2089b19
i01-1227
ire
iressa
iressa (tn)
iressa(tm)
Irressat
k00240
kbioss_002241
kinome_3321
kinome_3322
ls-139916
n-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
n-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamide
n-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
n-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine
n-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine
ncgc00159455-02
ncgc00159455-03
nchembio.117-comp18
nchembio866-comp14
nsc715055
s1025_selleck
stk621310
tarceva
unii-s65743jhbs
ZD 1839
zd-1839
zd-1839, Iressa, Gefitinib
ZD1839
zinc19632614
ATC L01XX31
L01XE02
CID 123631
CAS 184475352
Drugbank ID DB00317
TTD Drug ID DAP000657
SMILES COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN4CCOCC4
Formula C22H24ClFN4O3
Molweight 446.902
Atoms 31
LogP 4.2865
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 8
CYP interactions
NameRelationsReferences
2C19Inhibitor umm
2D6Substrate Inhibitor 16719544
umm
15788367
16176119
3A4Substrate 15788367
17575239
16123050
15499696
16176119
15788367
14977817
16123050
Transporter
AC-No.NameReferences
Q9UNQ0Mitoxantrone resistance-associated protein20421331
Extrarenal fraction 0.9
Elimination half-life 41.0h
Erlotinib

Java required.


Information Structure
Name erlotinib
Synonyms
183319-69-9
183321-74-6
4-quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-
4-[(3-ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline
4-[(3-ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline; N-(3-ethynylphenyl)[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amine; N-(3-ethynylphenyl)
ab1004620
ac-399
ac1l42ei
akos000282911
aq4
bcb03_000783
c400278
chebi:114785
chembl553
cid176870
cp 358,774
cp 358774
cp-358,774
cp-358774
db00530
en002711
erlotinib
erlotinib Hcl
erlotinib [inn]
erlotinib(tarceva)
erlotinib, Os-774
ft-0083688
hms2089f05
i01-1241
k00241
kinome_3317
ls-184395
n-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine
n-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
ncgc00164574-01
nchembio866-comp3
nsc 718781
osi 744
osi-774
r 1415
sr-05000001460
sr-05000001460-2
stk623143
tarceva
unii-j4t82ndh7e
zinc01546066
[6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine
[6,7-bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine
ATC L01XE03
CID 176870
CAS cid176870
Drugbank ID DB00530
TTD Drug ID DAP001010
Formula C22H24ClFN4O3
Molweight 446.902
Atoms 31
LogP 4.2865
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 8
Transporter
AC-No.NameReferences
Q9UNQ0Mitoxantrone resistance-associated protein20421331
Extrarenal fraction 0.97
Elimination half-life 36.2h
Sunitinib

Java required.


Information Structure
Name sunitinib
Synonyms
1h-pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((z)-(5-fluoro-1,2-dihydro-2-oxo-3h-indol-3-ylidene)methyl)-2,4-dimethyl-
1h-pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-[(z)- (5-fluoro-1,2-dihydro-2-oxo-3h-indol-3-ylidene)methyl]-2,4-dimethyl-
1h-pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-[(z)-(5-fluoro-1,2-dihydro-2-oxo-3h-indol-3-ylidene)methyl]-2,4-dimethyl-
326914-13-0
342641-94-5
5-(5-fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid (2-diethylamino-ethyl)-amide
557795-19-4
ac1ns62j
b49
chebi:38940
chembl535
cid5329102
d08552
db01268
db07417
en002687
ft-0083556
i01-1229
k00588a
ks-5022
ls-187023
ls-187648
n-(2-diethylaminoethyl)-5-[(z)-(5-fluoro-2-oxo-1h-indol-3-ylidene)methyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide
n-[2-(diethylamino)ethyl]-5-[(z)-(5-fluoro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide
ncgc00164631-01
nsc736511
nsc750690
pdgf Tk Antagonist
su 11248
su-011248
su-11248
su-11248j
su-12662
su11248
sunitanib
sunitinib
sunitinib (free Base)
sunitinib (inn)
sunitinib Malate
sunitinibum
sutent
unii-v99t50803m
ATC L01XE04
CID 5329102
CAS cid5329102
Drugbank ID DB01268
TTD Drug ID DCL000646
Formula C22H24ClFN4O3
Molweight 446.902
Atoms 31
LogP 4.2865
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 8
Transporter
AC-No.NameReferences
Q9UNQ0Mitoxantrone resistance-associated protein20421331
Extrarenal fraction 0.7
Elimination half-life 50.0h
Sorafenib

Java required.


Information Structure
Name sorafenib
Synonyms
2-pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-n-methyl-
2-pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-n-methyl-
284461-73-0
4(4-{3-[4-chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-n(sup 2)-methylpyridine-2-carboxamide
4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-n-methyl-2-pyridinecarboxamide
4-(4-(3-(4-chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxyllic Acid Methyamide-4-methylbenzenesulfonate
4-(4-{3-(4-chloro-3-(trifluoromethyl)phenyl)ureido}phenoxy)-n(sup 2)-methylpyridine-2-carboxamide
4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-n-methylpyridine-2-carboxamide
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-n-methyl-pyridine-2-carboxamide
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-n-methylpyridine-2-carboxamide
4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-n-methylpyridine-2-carboxamide
ab1004622
ac-1674
ac1l50cf
bax
bay 43-9006
bay 43-9006 (free Base)
bay 439006
bay 54-9085 (tosylate Salt)
bay-43-0006
bay-43-9006
bay-54-9085
bay43-9006
bio-0100
brd-k23984367-001-01-8
chebi:47228
chebi:50924
chembl1336
cid216239
d08524
db00398
db07438
en002709
i06-0856
k00597a
kinome_766
ls-186067
ls-187021
ls-187788
n-(4-chloro-3-(trifluoromethyl)phenyl)-n'-(4-(2-(n-methylcar Bamoyl)-4-pyridyloxy)phenyl)urea
n-(4-chloro-3-(trifluoromethyl)phenyl)-n'-(4-(2-(n-methylcarbamoyl)-4-pyridyloxy)phenyl)urea
n-[4-chloro-3-(trifluoromethyl)phenyl]-n'-[4-[2-(n-methylcarbamoyl)-4-pyridyloxy]phenyl]urea; 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbon
ncgc00167488-01
nchembio.117-comp17
nexavar
nsc-724772
nsc747971
sfn
sorafenib
sorafenib (inn)
sorafenib Tosylate
sorafenib [inn]
sorafenibum
stk627350
unii-9zoq3tzi87
zinc01493878
ATC L01XE05
CID 216239
CAS cid216239
Drugbank ID DB00398
TTD Drug ID DAP000006
Formula C22H24ClFN4O3
Molweight 446.902
Atoms 31
LogP 4.2865
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 8
Transporter
AC-No.NameReferences
Q9UNQ0Mitoxantrone resistance-associated protein20421331
Extrarenal fraction 0.9
Elimination half-life 36.5h
Dasatinib

Java required.


Information Structure
Name dasatinib
Synonyms
(18f)-n-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide
183319-69-9
1n1
2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)-n-(2-chloro-6-methylphenyl)thiazole-5-carboxamide
302962-49-8
5-thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-
5-thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-
ac1mi3et
ac1q2p0c
ambotzls-1203
bcb03_000715
bms 354825
bms-354825
bms-354825, Sprycel, Bms354825, Dasatinib
bms354825
c488369
chebi:49375
chembl1421
cid3062316
d03658
dasatinib
dasatinib (usan)
dasatinib Anhydrous
dasatinib [usan]
dasatinib, Bms 354825
dasatinibum
db01254
ec-000.2122
en002710
ft-0084503
i14-1972
kinome_3650
ls-186641
ls-187028
ls-187773
n-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide
n-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide
n-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
n-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide, Monohydrate
n-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
ncgc00181129-01
nchembio.117-comp11
nchembio.162-comp4
nchembio.332-comp1
nsc-732517
nsc732517
s1021_selleck
sprycel
sprycel (tn)
spyrcel
unii-x78ug0a0rn
ATC L01XE06
CID 3062316
CAS cid3062316
Drugbank ID DB01254
TTD Drug ID DAP000004
Formula C22H24ClFN4O3
Molweight 446.902
Atoms 31
LogP 4.2865
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 8
Transporter
AC-No.NameReferences
Q9UNQ0Mitoxantrone resistance-associated protein20421331
Extrarenal fraction 0.99
Elimination half-life 5h
Lapatinib

Java required.


Information Structure
Name lapatinib
Synonyms
1xkk
231277-92-2
388082-78-8
4-quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-
4-quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-
4-[[3-chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline; Gsk572016; Gw 572016; Gw 572016x;
ab1004631
ac-1314
ac1l4ll4
akos005145766
chebi:49603
chembl554
cid208908
d08108
db01259
db02584
en002712
fmm
gsk 572016
gw 572016
gw 572016x
gw572016
hms2089h10
i01-1247
kinome_3684
kinome_3685
lapatinib
lapatinib (inn)
lapatinib Ditosylate
lapatinib Tosilate Hydrate
lapatinib [inn]
lapatinib, Tykerb, Gw572016
ls-187029
ls-187771
n-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine
n-(3-chloro-4-{[(3-fluorophenyl)methyl]oxy}phenyl)-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furanyl]-4-quinazolinamine
n-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine
ncgc00167507-01
nchembio866-comp20
nsc745750
tl80090051
tycerb
tykerb
tyverb
unii-0vua21238f
ATC L01XE07
CID 208908
CAS cid208908
Drugbank ID DB01259
TTD Drug ID DCL000344
Formula C22H24ClFN4O3
Molweight 446.902
Atoms 31
LogP 4.2865
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 8
Transporter
AC-No.NameReferences
Q9UNQ0Mitoxantrone resistance-associated protein20421331
Nilotinib

Java required.


Information Structure
Name nilotinib
Synonyms
4-methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-n-[5-(4-methyl-1h-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-n-[5-(4-methyl-1h-imidazo
4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-n-[5-(4-methyl-1h-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
4-methyl-n-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide
4-methyl-n-[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
4-methyl-n-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
4-methyl-n-[3-(4-methylimidazol-1-yl)-5-trifluoromethylphenyl]-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzamide
641571-10-0
ac-647
ac1ld8u3
ag-g-40450
akos005063561
amn 107
amn-107
amn107
benzamide, 4-methyl-n-((3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-
benzamide, 4-methyl-n-(3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-
benzamide, 4-methyl-n-[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-
benzamide, 4-methyl-n-[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- (9ci)
c498826
chebi:52172
chembl255863
cid644241
d08953
db04868
ec-000.2344
en002707
i01-1225
l-1-yl)-3-(trifluoromethyl)phenyl]benzamide
nil
nilotinib
nilotinib (inn/usan)
nilotinib, Amn107, Tasigna
nilotinibum
nsc747599
s1033_selleck
tasigna
tasigna (novartis)
tasigna, Amn-107, Nilotinib
tl8004531
tx-011143
unii-f41401512x
ATC L01XE08
CID 644241
CAS cid644241
Drugbank ID DB04868
Formula C22H24ClFN4O3
Molweight 446.902
Atoms 31
LogP 4.2865
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 8
Transporter
AC-No.NameReferences
P78381UDP-galactose transporter 20814789
Extrarenal fraction 0.9
Elimination half-life 17.0h
Temsirolimus

Java required.


Information Structure
Name temsirolimus
Synonyms
(1r,2r,4s)-4-{(2r)-2-[(3s,6r,7e,9r,10r,12r,14s,15e,17e,19e,21s,23s,26r,27r,34as)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,2
162635-04-3
42-(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)rapamycin
cci-779
chembl1201182
ncgc00167518-01
nsc-683864
s1044_selleck
temserolimus
temsirolimus
torisel
torisel, Cci-779, Temsirolimus
ATC L01XE09
CID 6918289
CAS cid6918289
TTD Drug ID DAP001222
Formula C22H24ClFN4O3
Molweight 446.902
Atoms 31
LogP 4.2865
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 8
Transporter
AC-No.NameReferences
P78381UDP-galactose transporter 20814789
Everolimus

Java required.


Information Structure
Name Everolimus
Synonyms
42-O-(2-Hydroxy)ethyl Rapamycin
Certican
Everolimus
RAD
RAD 001
SDZ-RAD
ATC L04AA18
L01XE10
CID 6442177
CAS 159351696
TTD Drug ID DAP001223
SMILES CO[C@@H]1C[C@@H](CC[C@H]1OCCO)C[C@@H](C)[C@@H]2CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC
Formula C53H83NO14
Molweight 958.224
Atoms 68
LogP 6.1351
Rotatable Bonds 9
H-Bond Donors 0
H-Bond Acceptors 14
CYP interactions
NameRelationsReferences
3A4Substrate 15041395
14748618
11384247
12457444
11996015
14748618
Transporter
AC-No.NameReferences
P78381UDP-galactose transporter 20814789
Extrarenal fraction 1.0
Elimination half-life 30 h
Pazopanib

Java required.


Information Structure
Name pazopanib
Synonyms
444731-52-6
5-[[4-[(2,3-dimethyl-2h-indazol-6-yl)(methyl)amino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonami
5-[[4-[(2,3-dimethylindazol-6-yl)-methyl-amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide
790713-33-6
akos005145819
benzenesulfonamide, 5-((4-((2,3-dimethyl-2h-indazol-6-yl)methylamino)-2-pyrimidinyl)amino)-2-methyl-
benzenesulfonamide, 5-[[4-[(2,3-dimethyl-2h-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-
chembl477772
cid10113978
de
gw 786034
gw-786034
gw786034
i09-0358
kinome_3790
molport-006-827-156
pazopanib
pazopanib [inn]
st51053493
unii-7rn5dr86ck
votrient
zinc11617039
ATC L01XE11
CID 10113978
CAS cid10113978
Formula C53H83NO14
Molweight 958.224
Atoms 68
LogP 6.1351
Rotatable Bonds 9
H-Bond Donors 0
H-Bond Acceptors 14
CYP interactions
NameRelationsReferences
3A4Inhibitor 20881954
Transporter
AC-No.NameReferences
P78381UDP-galactose transporter 20814789
Vandetanib

Java required.


Information Structure
Name vandetanib
Synonyms
2ivu
338992-00-0
4-(4-bromo-2-fluoroanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
4-quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-
4-quninazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-
443913-73-3
ac-5251
ac1miwru
azd-6474
c452423
ch 331
ch-331
chebi:133576
chebi:49960
chembl24828
cid3081361
d06407
db08764
ec-000.2359
en002713
f9995-0087
gnf-pf-2188
i14-1942
kinome_3316
ls-184394
molport-005-942-399
n-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-4-quinazolinamine
n-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine
n-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
ncgc00167513-01
nsc744325
quinazolin-4-amine, N-(4-bromo-2-fluorophenyl)-6-mthoxy-7-[(1-methyl-4-piperidinyl)methoxy]-
s1046_selleck
unii-yo460oq37k
vandetanib
vandetanib (jan/inn)
vandetanib [inn]
vandetanib, Zactima, Zd6474
zactima
zactima, Zd6474
zd 6474
zd 6474|
zd-64
zd-6474
zd6
zd6474
||zactima
ATC L01XE12
CID 3081361
CAS cid3081361
TTD Drug ID DCL000350
Formula C53H83NO14
Molweight 958.224
Atoms 68
LogP 6.1351
Rotatable Bonds 9
H-Bond Donors 0
H-Bond Acceptors 14
Transporter
AC-No.NameReferences
P78381UDP-galactose transporter 20814789
Afatinib

Java required.


Information Structure
Name afatinib
Synonyms
(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
2-butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3s)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-
439081-18-2
915958-11-1
afatinib
bibw 2992
bibw-2992
chebi:61390
chebi:750126
chembl1173655
cid 10184653
cid10184653
ex-8656
ft-0083487
n-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3s)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide
s1011_selleck
tomtovok
tovok
tovok, Bibw2992
tx-011125
ATC L01XE13
CID 10184653
CAS cid10184653
Formula C53H83NO14
Molweight 958.224
Atoms 68
LogP 6.1351
Rotatable Bonds 9
H-Bond Donors 0
H-Bond Acceptors 14
Transporter
AC-No.NameReferences
P78381UDP-galactose transporter 20814789
Bosutinib

Java required.


Information Structure
Name bosutinib
Synonyms
3-quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-
3-quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-
380443-75-4
380843-75-4
4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile
4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile
4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propo
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
ac-2413
ac1ns5p1
bosutinib
bosutinib (usan)
c471992
chebi:39112
chembl288441
cid5328940
d03252
ec-000.2261
i14-1974
k00615a
pf-5208763
ski 606
ski-606
ski606
st51054132
unii-5018v4aez0
xy]-3-quinolinecarbonitrile
ATC L01XE14
CID 5328940
CAS cid5328940
TTD Drug ID DNC000871
Formula C53H83NO14
Molweight 958.224
Atoms 68
LogP 6.1351
Rotatable Bonds 9
H-Bond Donors 0
H-Bond Acceptors 14
Transporter
AC-No.NameReferences
P78381UDP-galactose transporter 20814789
Vemurafenib

Java required.


Information Structure
Name vemurafenib
Synonyms
Chembl1229517
molport-009-200-481
plx-4032
r-7204
rg-7204
rg7204, R7204, Ro5185426, Plx4032, Plx-4032
ro-5185426
s1267_selleck
vemurafenib
ATC L01XE15
CID 42611257
CAS cid42611257
Formula C53H83NO14
Molweight 958.224
Atoms 68
LogP 6.1351
Rotatable Bonds 9
H-Bond Donors 0
H-Bond Acceptors 14
Transporter
AC-No.NameReferences
P78381UDP-galactose transporter 20814789
Axitinib

Java required.


Information Structure
Name axitinib
Synonyms
319460-85-0
790713-39-2
ac-1539
ac1o51x3
ag 013736
ag-013736
ag-013736, Axitinib
ag-13736
ag013736
axitinib
benzamide, N-methyl-2-((3-((1e)-2-(2-pyridinyl)ethenyl)-1h-indazo)-6-yl)thio)-
benzamide, N-methyl-2-[[3-[(1e)-2-(2-pyridinyl)ethenyl]-1h-indazol-6-yl]thio]-
c503983
chembl1289926
cid6450551
ec-000.2322
i14-1971
n-methyl-2-((3-((1e)-2-(pyridin-2-yl)ethenyl)-1h-indazol-6-yl)sulfanyl)benzamide
n-methyl-2-[[3-[(e)-2-pyridin-2-ylethenyl]-1h-indazol-6-yl]sulfanyl]benzamide
s1005_selleck
st51054130
unii-c9lvq0yuxg
zinc03816287
ATC L01XE17
CID 6450551
CAS cid6450551
TTD Drug ID DCL000353
Formula C53H83NO14
Molweight 958.224
Atoms 68
LogP 6.1351
Rotatable Bonds 9
H-Bond Donors 0
H-Bond Acceptors 14
Transporter
AC-No.NameReferences
P78381UDP-galactose transporter 20814789