Details of the Drug

General Information of Drug (ID: DM32N5G)

Drug Name
VOROZOLE
Synonyms
Vorozole; Rivizor; 129731-10-8; R-83842; UNII-1E2S9YXV2A; 1E2S9YXV2A; Vorozol [INN-Spanish]; Vorozolum [INN-Latin]; (+)-Vorozole; CCRIS 7482; Vorozolum; Vorozol; Rivizor (TN); 6-[(S)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole; Vorozole (USAN/INN); AC1OCF4T; (S)-VOROZOLE; SCHEMBL4554; Vorozole [USAN:INN:BAN]; CHEMBL224060; DTXSID20156230; (+)-(S)-6-(p-Chloro-alpha-1H-1,2,4-triazol-1-ylbenzyl)-1-methyl-1H-benzotriazole; CHEBI:135387; 1H-Benzotriazole, 6-((4-chlorophenyl)-1H-1,2,4-triazol-1-ylmethyl)-1-methyl
ATC Code
L02BG05: VOROZOLE
L02BG: Aromatase inhibitors
L02B: HORMONE ANTAGONISTS AND RELATED AGENTS
L02: ENDOCRINE THERAPY
L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 324.77
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [1]
Elimination
8% of drug is excreted from urine in the unchanged form [1]
Adverse Drug Reaction (ADR)
ADR Term Variation Related DOT DOT ID REF
Cardiovascular disorder Not Available AK1 OT614AR3 [2]
Chemical Identifiers
Formula
C16H13ClN6
IUPAC Name
6-[(S)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
Canonical SMILES
CN1C2=C(C=CC(=C2)[C@H](C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1
InChI
InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1
InChIKey
XLMPPFTZALNBFS-INIZCTEOSA-N
Cross-matching ID
PubChem CID
6918191
ChEBI ID
CHEMBL224060
CAS Number
129731-10-8
UNII
1E2S9YXV2A
DrugBank ID
DB13767
TTD ID
D0D3PF
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Adenylate kinase isoenzyme 1 (AK1) OT614AR3 KAD1_HUMAN Drug Response [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 BDDCS applied to over 900 drugs
2 ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
3 Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activ... J Med Chem. 2008 Jul 24;51(14):4226-38.