Compound - Results

Aminogluthetimide

Java required.


Information Structure
Name Aminogluthetimide
Synonyms
2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-
2-(p-Aminophenyl)-2-ethylglutarimide
3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion
3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine
5-22-13-00297 (Beilstein Handbook Reference)
Aminoglutethimide
Aminoglutethimidum
Aminoglutetimida
Aminogluthetimide
Ba 16038
Ba-16038
BRN 0210656
C 16038-BA
CCRIS 7562
Cytadren
EINECS 204-756-4
Elipten
Orimeten
p-Aminoglutethimide
ATC L02BG01
CID 2145
CAS 000125848
Drugbank ID DB00357
TTD Drug ID DNC000202
SMILES CC[C@]1(CCC(=O)NC1=O)C2=CC=C(N)C=C2
Formula C13H16N2O2
Molweight 232.278
Atoms 17
LogP 2.2632
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A2Inducer umm
2C19Inducer umm
3A4Inducer umm
11B1Inhibitor 11869873
11B2Inhibitor 11996015
17AInhibitor 11869873
19AInhibitor 3755630
Extrarenal fraction 0.9
Elimination half-life 12h
Formestane

Java required.


Information Structure
Name Formestane
Synonyms
4-Hydroxy-4-androstene-3,17-dione
4-Hydroxy-delta(sub 4)-androstenedione
4-OH-A
B, Aromatase Inhibitor
BRN 1889793
CCRIS 7483
CGP 32349
Formestane
NSC 282175
ATC L02BG02
CID 11273
CAS 000566483
SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CCC2=O
Formula C19H26O3
Molweight 302.408
Atoms 25
LogP 3.9731
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
19AInhibitor 8018527
Anastrozole

Java required.


Information Structure
Name Anastrozole
Synonyms
Alpha,alpha,alpha,alpha-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile
Anastrozole
Arimidex
ICI-D 1033
ZD 1033
ATC L02BG03
CID 2187
CAS 120511731
Drugbank ID DB01217
TTD Drug ID DAP000627
SMILES CC(C)(C#N)C1=CC(CN2C=NC=N2)=CC(=C1)C(C)(C)C#N
Formula C17H19N5
Molweight 293.366
Atoms 22
LogP 2.92876
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A2Inhibitor 9152599
9152599
2C9Inhibitor 9152599
9152599
3A4Inhibitor 9152599
umm
19AInhibitor 8903429
16504510
Letrozole

Java required.


Information Structure
Name Letrozole
Synonyms
4,4-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile
CGS 20267
Femara
Letrozole
ATC L02BG04
CID 3902
CAS 112809515
Drugbank ID DB01006
TTD Drug ID DAP000626
SMILES N#CC1=CC=C(C=C1)C(N2C=NC=N2)C3=CC=C(C=C3)C#N
Formula C17H11N5
Molweight 285.303
Atoms 22
LogP 2.65916
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2A6Substrate Inhibitor umm
3A4Substrate umm
19ASubstrate Inhibitor 15642164
15939586
16330141
9815951
10448261
Extrarenal fraction 0.95
Elimination half-life 48h
Vorozole

Java required.


Information Structure
Name Vorozole
Synonyms
6-((4-Chlorophenyl)-(1H-1,2,4-triazol-1-yl)methyl)-1-methyl-1H-benzotriazole
R 76713
R 83839
R 83842
R-76713
R-83839
R-83842
Vorozole
ATC L02BG05
CID 60796
CAS 118949227
SMILES CN1N=NC2=C1C=C(C=C2)[C@@H](N3C=NC=N3)C4=CC=C(Cl)C=C4
Formula C16H13ClN6
Molweight 324.768
Atoms 23
LogP 2.8509
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
19AInhibitor 16714371
1737385
Exemestane

Java required.


Information Structure
Name Exemestane
Synonyms
Aromasin
Exemestane
Exemestano
Exemestanum
ATC L02BG06
CID 60198
CAS 107868304
Drugbank ID DB00990
TTD Drug ID DAP000625
SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Formula C20H24O2
Molweight 296.403
Atoms 25
LogP 4.0295
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
3A4Substrate fachinfo
19AInhibitor 1525055
15691633