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

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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]
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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: CHEBI:135387
CAS Number: 129731-10-8
DrugBank ID: DB13767
TTD ID: D0D3PF

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Adenylate kinase isoenzyme 1 (AK1)	OT614AR3	KAD1_HUMAN	Drug Response	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.