Compound - Results

Fluconazole

Java required.


Information Structure
Name Fluconazole
Synonyms
2,4-Difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl Alcohol
2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol
Afungil
Alflucoz
alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol
Baten
Biocanol
Biozolene
Canzol
CCRIS 7211
Cryptal
Diflucan
Dimycon
DRG-0005
Elazor
Flucazol
Fluconazol
Fluconazole
Fluconazolum
Flukezol
Flunizol
Fluzone
Forcan
Fungata
Mutum
Oxifugol
Pritenzol
Syscan
Triflucan
UK 49858
Zemyc
Zonal
ATC D01AC15
J02AC01
CID 3365
CAS 086386734
Drugbank ID DB00196
TTD Drug ID DAP000628
SMILES OC(CN1C=NC=N1)(CN2C=NC=N2)C3=C(F)C=C(F)C=C3
Formula C13H12F2N6O
Molweight 306.271
Atoms 22
LogP 0.7358
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 7
CYP interactions
NameRelationsReferences
1A1Inducer 17283379
1A2Inhibitor umm
2C8Inhibitor umm
2C9Substrate Inhibitor 14747429
9551703
umm
10799653
10709776
11475469
10952477
2C18Inhibitor 15963096
2C19Inhibitor 10709776
umm
10709776
11475469
2D6Inhibitor 16984215
3A4Inhibitor Inducer umm
15692832
11475469
16406388
3A5Inhibitor Inducer 16172184
16822276
18220561
19889796
8520811
16406388
11B1Inhibitor 7663533
19AInhibitor 7709362
Phase2 interactions
NameReferences
UGT 20484152
Extrarenal fraction 0.2
Elimination half-life 30h
Itraconazole

Java required.


Information Structure
Name Itraconazole
Synonyms
(+-)-1-sec-Butyl-4-(p-(4-(p-(((2R*,4S*)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)
BRN 6042047
DRG-0044
Itraconazol
Itraconazole
Itraconazolum
Oriconazole
R 51211
Sporanox
ATC J02AC02
CID 3793
CAS 084625616
SMILES CC[C@H](C)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC[C@H]5CO[C@@](CN6C=NC=N6)(O5)C7=C(Cl)C=C(Cl)C=C7)C=C4
Formula C35H38Cl2N8O4
Molweight 705.633
Atoms 49
LogP 5.7073
Rotatable Bonds 11
H-Bond Donors 0
H-Bond Acceptors 7
CYP interactions
NameRelationsReferences
1A1Inducer 17283379
2D6Inhibitor 16321618
2E1Inhibitor 9574817
3A4Substrate Inhibitor 15133245
8690825
umm
15242978
16176119
15692832
15447735
15289787
15242978
11475469
16418697
11103751
10709776
19AInhibitor 2561184
Transporter
AC-No.NameReferences
Q9UNQ0Breast cancer resistance protein17518356
Extrarenal fraction 1
Elimination half-life 30h
Voriconazole

Java required.


Information Structure
Name Voriconazole
Synonyms
(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
DRG-0301
UK-109,496
Vfend
Voriconazole
ATC J02AC03
CID 71616
CAS 137234629
Drugbank ID DB00582
TTD Drug ID DAP001271
SMILES C[C@@H](C1=NC=NC=C1F)[C@](O)(CN2C=NC=N2)C3=C(F)C=C(F)C=C3
Formula C16H14F3N5O
Molweight 349.31
Atoms 25
LogP 2.1769
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 8
CYP interactions
NameRelationsReferences
2C9Substrate Inhibitor 18034666
12695341
12867215
17433262
12695341
2C19Substrate Inhibitor 12695341
18034666
12695341
12867215
17433262
3A4Substrate Inhibitor 12695341
18034666
12695341
12867215
17433262
Transporter
AC-No.NameReferences
Q9UNQ0Breast cancer resistance protein17518356
Extrarenal fraction 0.98
Elimination half-life 6.0h
Posaconazole

Java required.


Information Structure
Name posaconazole
Synonyms
1-((1s,2s)-1-ethyl-2-hydroxypropyl)-4-{4-[4-(4-{[(5s,3r)-5-(2,4-difluorophenyl)-5-(1,2,4-triazolylmethyl)oxolan-3-yl]methoxy}phenyl)piperazinyl]phenyl
171228-49-2
4-[4-[4-[4-[[(3r,5r)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2s,3s)-2-hydroxypentan-3
ac-1350
ac1lahlq
akos005145917
chebi:434337
chembl1397
cid468595
noxafil
noxafil, Posaconazole
pcz
pos
posaconazole
posaconazole In Combination With Mgcd290
posaconazole Sp
s1257_selleck
sch 56592
sch-56592
sch56592
spriafil
x2n
ATC J02AC04
CID 468595
CAS cid468595
Drugbank ID DB01263
Formula C16H14F3N5O
Molweight 349.31
Atoms 25
LogP 2.1769
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 8
Transporter
AC-No.NameReferences
Q9UNQ0Breast cancer resistance protein17518356
Extrarenal fraction 1
Elimination half-life 35h