Compound - Results

Indometacin

Java required.


Information Structure
Name Indometacin
Synonyms
(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic Acid
1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure
1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic Acid
1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic Acid
1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido Acetico
1H-Indole-3-acetic Acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-
5-22-05-00239 (Beilstein Handbook Reference)
alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic Acid
Amuno
Artracin
Artrinovo
Artrivia
BRN 0497341
CCRIS 3502
Confortid
Dolovin
EINECS 200-186-5
HSDB 3101
Idomethine
Imbrilon
Inacid
Indacin
Indo-rectolmin
Indo-tablinen
Indocid
Indocin
Indole-3-acetic Acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-
Indomecol
Indomed
Indomee
Indometacin
Indometacina
Indometacine
Indometacinum
Indometacyna
Indomethacin
Indomethacine
Indomethacinum
Indomethazine
Indometicina
Indoptic
Indoptol
Inflazon
Infrocin
Inteban SP
Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy
Lausit
Metacen
Metartril
Methazine
Metindol
Mezolin
Mikametan
Mobilan
N-p-Chlorbenzoyl-5-methoxy-2-methylindole-3-acetic Acid
NCI-C56144
Reumacide
Sadoreum
Tannex
ATC C01EB03
M01AB01
M02AA23
S01BC01
CID 3715
CAS 000053861
Drugbank ID DB00328
TTD Drug ID DAP000617
SMILES COC1=CC2=C(C=C1)N(C(C)=C2CC(O)=O)C(=O)C3=CC=C(Cl)C=C3
Formula C19H16ClNO4
Molweight 357.788
Atoms 25
LogP 3.9273
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2C8Substrate Inhibitor umm
2C9Substrate Inhibitor 9492390
umm
9492390
2C19Substrate Inhibitor medicine.iupui.edu/flockhart
umm
9492390
Phase2 interactions
NameReferences
GST 12142058,
9729437,
8573068,
1569917
NAT 7678288,
21554579
UGT 17245571,
3094339,
3778523
Transporter
AC-No.NameReferences
O15439ATP-binding cassette sub-family C member 417578901
P08183Multidrug resistance protein 116781454
P33527Leukotriene C(4) transporter11463358
Q4U2R8Solute carrier family 22 member 69950961
Q92887Canalicular multidrug resistance protein12702717
Extrarenal fraction 0.85
Elimination half-life 6.0h
Sulindac

Java required.


Information Structure
Name Sulindac
Synonyms
(Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic Acid
Arthrocine
BRN 2951842
CCRIS 3305
cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic Acid
cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetic Acid
Clinoril
EINECS 253-819-2
MK 231
Mobilin
Sulindac
Sulindac Sulfoxide
Sulindaco
Sulindacum
ATC M01AB02
CID 1548887
CAS 038194502
SMILES CC1=C(CC(O)=O)C2=C(C=CC(F)=C2)C1=C/C3=CC=C(C=C3)S(C)=O
Formula C20H17FO3S
Molweight 356.411
Atoms 26
LogP 5.2312
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A1Inhibitor 16531450
1A2Inhibitor 16531450
Phase2 interactions
NameReferences
GST 21243500
NAT 9721671,
20654481,
20654481,
11828994
SUL 17073578
Transporter
AC-No.NameReferences
O15439ATP-binding cassette sub-family C member 417959747
P78381UDP-galactose translocator15161036
Q86UG4Cancer/testis antigen 48 9067546
Extrarenal fraction 1.0
Elimination half-life 7.0h
Tolmetin

Java required.


Information Structure
Name Tolmetin
Synonyms
1-Methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetic Acid
1-Methyl-5-(4-methylbenzoyl)-pyrrole-2-acetic Acid
1-Methyl-5-p-toluoylpyrrole-2-acetic Acid
1H-Pyrrole-2-acetic Acid, 1-methyl-5-(4-methylbenzoyl)-
5-(p-Toluoyl)-1-methylpyrrole-2-acetic Acid
5-22-06-00392 (Beilstein Handbook Reference)
Acido 1-metil-5-(p-tolnil)-pirrol-2-acetico
BRN 0485305
EINECS 247-497-2
HSDB 3403
MCN 2559
Pyrrole-2-acetic Acid, 1-methyl-5-p-toluoyl-
Tolectin
Tolmetin
Tolmetina
Tolmetine
Tolmetino
Tolmetinum
ATC M01AB03
M02AA21
CID 5509
CAS 026171233
Drugbank ID DB00500
TTD Drug ID DAP000777
SMILES CN1C(CC(O)=O)=CC=C1C(=O)C2=CC=C(C)C=C2
Formula C15H15NO3
Molweight 257.284
Atoms 19
LogP 2.1916
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
O15439ATP-binding cassette sub-family C member 417959747
P78381UDP-galactose translocator15161036
Q86UG4Cancer/testis antigen 48 9067546
Extrarenal fraction 0.95
Elimination half-life 5.0h
Zomepirac

Java required.


Information Structure
Name Zomepirac
Synonyms
EINECS 251-474-2
Zomepirac
Zomepiracum
ATC M01AB04
CID 5733
CAS 033369312
SMILES CN1C(CC(O)=O)=CC(C)=C1C(=O)C2=CC=C(Cl)C=C2
Formula C15H14ClNO3
Molweight 291.73
Atoms 20
LogP 2.845
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
3A4Substrate 16251255
16251255
Transporter
AC-No.NameReferences
O15439ATP-binding cassette sub-family C member 417959747
P78381UDP-galactose translocator15161036
Q86UG4Cancer/testis antigen 48 9067546
Diclofenac

Java required.


Information Structure
Name Diclofenac
Synonyms
2-((2,6-Dichlorophenyl)amino)benzeneacetic Acid
BRN 2146636
Dichlofenac
Diclofenac
Diclofenac Acid
Diclofenaco
Diclofenacum
Diclophenac
EINECS 239-348-5
Pennsaid
ProSorb-D
ATC M01AB05
M02AA15
S01BC03
D11AX18
CID 3033
CAS 015307865
Drugbank ID DB00586
TTD Drug ID DAP000620
SMILES OC(=O)CC1=CC=CC=C1NC2=C(Cl)C=CC=C2Cl
Formula C14H11Cl2NO2
Molweight 296.149
Atoms 19
LogP 4.4371
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
1A1Substrate 10572000
1A2Substrate Inhibitor umm
10572000
2B6Substrate umm
10449188
2C8Substrate Inhibitor 10572000
15581350
umm
2C9Substrate Inhibitor 16740353
umm
12065442
11353760
10497136
9335524
14570767
15802386
16308280
15135088
2C18Substrate 10449188
10572000
2C19Substrate 10449188
10572000
umm
2D6Substrate umm
2E1Inhibitor umm
15135088
9574817
3A4Substrate Inhibitor umm
10027801
10027798
10950847
10572000
46ASubstrate 14640697
Phase2 interactions
NameReferences
UGT 7981423,
9834275
Transporter
AC-No.NameReferences
O15439Multidrug resistance-associated protein 417005917
P08183Multidrug resistance protein 119793025
P78381UDP-galactose transporter 21098645
Q92887ATP-binding cassette sub-family C member 29585482
Q9NPD5Solute carrier organic anion transporter family member 1B321389119
Q9UNQ0Breast cancer resistance protein18845662
Extrarenal fraction 1.0
Elimination half-life 1.5h
Alclofenac

Java required.


Information Structure
Name Alclofenac
Synonyms
(4-(Allyloxy)-3-chlorophenyl)acetic Acid
(4-Allyloxy-3-chlorphenyl)essigsaeure
3-chlor-4-allyloxy-phenylacetic Acid
3-Chloro-4-(2-propenyloxy)benzeneacetic Acid
Alclofenac
Alclofenaco
Alclofenacum
Alclophenac
Allopydin
Argun
BRN 2116510
Desinflam
EINECS 244-795-4
Kyselina 4-allyloxy-3-chlorfenyloctova
Marvan Forte
Medifenac
Mervan
MY 101
Neosten
Neoston
Prinalgin
Reufenac
W 7320
Zumaril
ATC M01AB06
CID 30951
CAS 022131799
SMILES OC(=O)CC1=CC(Cl)=C(OCC=C)C=C1
Formula C11H11ClO3
Molweight 226.656
Atoms 15
LogP 2.5319
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
O15439Multidrug resistance-associated protein 417005917
P08183Multidrug resistance protein 119793025
P78381UDP-galactose transporter 21098645
Q92887ATP-binding cassette sub-family C member 29585482
Q9NPD5Solute carrier organic anion transporter family member 1B321389119
Q9UNQ0Breast cancer resistance protein18845662
Bumadizone

Java required.


Information Structure
Name Bumadizone
Synonyms
B-64114
BRN 0696638
Bumadizon
Bumadizona
Bumadizone
Bumadizonum
EINECS 222-710-1
n-Butylmalonic Acid N,N-diphenylhydrazide
ATC M01AB07
CID 19161
CAS 003583640
SMILES CCCC[C@@H](C(O)=O)C(=O)N(NC1=CC=CC=C1)C2=CC=CC=C2
Formula C19H22N2O3
Molweight 326.39
Atoms 24
LogP 4.0107
Rotatable Bonds 9
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
O15439Multidrug resistance-associated protein 417005917
P08183Multidrug resistance protein 119793025
P78381UDP-galactose transporter 21098645
Q92887ATP-binding cassette sub-family C member 29585482
Q9NPD5Solute carrier organic anion transporter family member 1B321389119
Q9UNQ0Breast cancer resistance protein18845662
Etodolac

Java required.


Information Structure
Name Etodolac
Synonyms
1,3,4,9-Tetrahydro-1,8-diethylpyrano(3,4-b)indole-1-acetic Acid
1,8-Diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic Acid
AY 24236
CCRIS 3923
Etodolac
Etodolaco
Etodolacum
Etodolic Acid
Lodine
NSC 282126
Ultradol
ATC M01AB08
CID 3308
CAS 041340254
Drugbank ID DB00749
TTD Drug ID DAP000778
SMILES CCC1=CC=CC2=C1NC3=C2CCO[C@@]3(CC)CC(O)=O
Formula C17H21NO3
Molweight 287.354
Atoms 21
LogP 3.383
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2C9Substrate Inhibitor 15370961
16430028
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 15370961
Q92887Multidrug resistance-associated protein 217005917
Extrarenal fraction 1.0
Elimination half-life 7.0h
Lonazolac

Java required.


Information Structure
Name Lonazolac
Synonyms
EINECS 258-791-5
Lonazolac
Lonazolaco
Lonazolacum
ATC M01AB09
CID 68706
CAS 053808881
SMILES OC(=O)CC1=CN(N=C1C2=CC=C(Cl)C=C2)C3=CC=CC=C3
Formula C17H13ClN2O2
Molweight 312.75
Atoms 22
LogP 3.8198
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 15370961
Q92887Multidrug resistance-associated protein 217005917
Fentiazac

Java required.


Information Structure
Name Fentiazac
Synonyms
4-(4-Chlorophenyl)-2-phenyl-5-thiazoleacetic Acid
4-(p-Chlorophenyl)-2-phenyl-5-thiazoleacetic Acid
BR 700
BRN 1083610
CH 800
Donorest
EINECS 241-958-1
Fentiazac
Fentiazaco
Fentiazacum
Flogene
Norvedan
NSC 282191
WY 21,894
ATC M01AB10
M02AA14
CID 28871
CAS 018046214
SMILES OC(=O)CC1=C(N=C(S1)C2=CC=CC=C2)C3=CC=C(Cl)C=C3
Formula C17H12ClNO2S
Molweight 329.801
Atoms 22
LogP 4.7576
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 15370961
Q92887Multidrug resistance-associated protein 217005917
Acemetacin

Java required.


Information Structure
Name Acemetacin
Synonyms
((1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl)acetoxy)acetic Acid
(1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-acetoxy)essigsaeure
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic Acid Carboxymethyl Ester
2-(2-(1-(p-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl)acetoxy)acetic Acid
5-22-05-00241 (Beilstein Handbook Reference)
Acemetacin
Acemetacina
Acemetacine
Acemetacinum
Acemix
Aximeixin
Bay F 4975
BRN 0501672
EINECS 258-403-4
K 708
K-708
Rantudil
Rheumibis
TVX 3322
ATC M01AB11
CID 1981
CAS 053164059
SMILES COC1=CC2=C(C=C1)N(C(C)=C2CC(=O)OCC(O)=O)C(=O)C3=CC=C(Cl)C=C3
Formula C21H18ClNO6
Molweight 415.824
Atoms 29
LogP 3.4705
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 6
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 15370961
Q92887Multidrug resistance-associated protein 217005917
Extrarenal fraction 0.6
Elimination half-life 4.5h
Difenpiramide

Java required.


Information Structure
Name Difenpiramide
Synonyms
2-Biphenylyl-N-pyridylacetamide
5-22-08-00334 (Beilstein Handbook Reference)
BRN 0483768
Difenpiramide
Diphenpyramide
EINECS 257-235-9
N-2-Pyridinyl-(1,1-biphenyl)-4-acetamide
NSC 305337
Pyridyl-biphenylyl-acetamide
Z-876
ATC M01AB12
CID 100472
CAS 051484403
SMILES O=C(CC1=CC=C(C=C1)C2=CC=CC=C2)NC3=NC=CC=C3
Formula C19H16N2O
Molweight 288.343
Atoms 22
LogP 4.0028
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 15370961
Q92887Multidrug resistance-associated protein 217005917
Oxametacin

Java required.


Information Structure
Name Oxametacin
Synonyms
1-(4-Chlorobenzoyl)-N-hydroxy-5-methoxy-2-methyl-1H-indole-3-acetamide
1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetohydroxamic Acid
1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetohydroxamic Acid
5-22-05-00243 (Beilstein Handbook Reference)
ABC 8/3
Acido 1-(p-clorobenzoil)-5-metossi-2-metil-3-indolilacetoidrossamico
Acido Indoxamico
BRN 0497721
EINECS 248-179-6
Flogar
Indoxamic Acid
Oxametacin
Oxametacina
Oxametacine
Oxametacinum
Oxamethacin
ATC M01AB13
CID 33675
CAS 027035309
SMILES COC1=CC2=C(C=C1)N(C(C)=C2CC(=O)NO)C(=O)C3=CC=C(Cl)C=C3
Formula C19H17ClN2O4
Molweight 372.802
Atoms 26
LogP 3.739
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 15370961
Q92887Multidrug resistance-associated protein 217005917
Proglumetacin

Java required.


Information Structure
Name Proglumetacin
Synonyms
Proglumetacin
Proglumetacina
Proglumetacine
Proglumetacinum
ATC M01AB14
CID 4921
CAS 057132533
SMILES CCCN(CCC)C(=O)[C@H](CCC(=O)OCCCN1CCN(CCOC(=O)CC2=C(C)N(C(=O)C3=CC=C(Cl)C=C3)C4=C2C=C(OC)C=C4)CC1)NC(=O)C5=CC=CC=C5
Formula C46H58ClN5O8
Molweight 844.434
Atoms 60
LogP 6.4309
Rotatable Bonds 26
H-Bond Donors 0
H-Bond Acceptors 11
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 15370961
Q92887Multidrug resistance-associated protein 217005917
Ketorolac

Java required.


Information Structure
Name Ketorolac
Synonyms
(+-)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic Acid
(+-)-Ketorolac
Ketorolac
Ketorolaco
Ketorolacum
RS 37619
ATC M01AB15
S01BC05
CID 3826
CAS 074103063
Drugbank ID DB00465
TTD Drug ID DAP000618
SMILES OC(=O)[C@H]1CCN2C1=CC=C2C(=O)C3=CC=CC=C3
Formula C15H13NO3
Molweight 255.269
Atoms 19
LogP 2.291
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 15370961
Q92887Multidrug resistance-associated protein 217005917
Extrarenal fraction 1.0
Elimination half-life 6.0h
Aceclofenac

Java required.


Information Structure
Name Aceclofenac
Synonyms
2-((2,6-Dichlorophenyl)amino)benzeneacetic Acid Carboxymethyl Ester
2-(o-(2,6-Dichloranilino)phenylacetoxy)essigsaeure
Aceclofenac
Aceclofenaco
Aceclofenacum
BRN 4884476
ATC M01AB16
CID 71771
CAS 089796996
SMILES OC(=O)COC(=O)CC1=CC=CC=C1NC2=C(Cl)C=CC=C2Cl
Formula C16H13Cl2NO4
Molweight 354.185
Atoms 23
LogP 3.9803
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
2C9Substrate 8869816
8869816
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 15370961
Q92887Multidrug resistance-associated protein 217005917
Extrarenal fraction 0.99
Elimination half-life 4h
Bufexamac

Java required.


Information Structure
Name Bufexamac
Synonyms
4-Butoxy-N-hydroxybenzeneacetamide
4-Butoxyphenylacetohydroxamic Acid
Acide P-butoxyphenylacethydroxamique
BRN 2646848
Bufessamac
Bufexamac
Bufexamaco
Bufexamacum
Bufexamic Acid
CP 1044
CP 1044 J3
Droxarol
Droxaryl
EINECS 219-451-1
Feximac
Flogicid
Flogocid N Plastigel
J3
Malipuran
Mofenar
Norfemac
p-Butoxyphenylacetohydroxamic Acid
Parfenac
Parfenal
ATC D04AX03
M01AB17
M02AA09
CID 2466
CAS 002438724
SMILES CCCCOC1=CC=C(CC(=O)NO)C=C1
Formula C12H17NO3
Molweight 223.268
Atoms 16
LogP 2.3043
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 15370961
Q92887Multidrug resistance-associated protein 217005917