Details of the Drug

General Information of Drug (ID: DM4OYXE)

Drug Name
LIAROZOLE
Synonyms
Liarozole; Liazal; 115575-11-6; R-75251; LIAROZOLE FUMARATE; Liarozole [INN:BAN]; Liarozolum [INN-Latin]; Liarozol [INN-Spanish]; R 75251; R-61405; R085246; R 61405; R-085246; R 085246; 6-((3-chlorophenyl)(1H-imidazol-1-yl)methyl)-1H-benzo[d]imidazole; UNII-17NYD2210B; CHEMBL389433; UNII-090Y06W08H; 17NYD2210B; 090Y06W08H; Liarozolum; Liarozol; 1H-Benzimidazole, 5-((3-chlorophenyl)-1H-imidazol-1-ylmethyl)-; NCGC00181034-01; Liarozole, (-)-; Liarozole, (+)-; AC1L1TNN; AC1Q3M3B; SCHEMBL18597; GTPL5210; SCHEMBL15944205; DTXSID9048277
Indication
Disease Entry ICD 11 Status REF
Dermatological disease DA24.Y Phase 2/3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 308.8
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H13ClN4
IUPAC Name
6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-benzimidazole
Canonical SMILES
C1=CC(=CC(=C1)Cl)C(C2=CC3=C(C=C2)N=CN3)N4C=CN=C4
InChI
InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
InChIKey
UGFHIPBXIWJXNA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60652
ChEBI ID
CHEMBL389433
CAS Number
115575-11-6
UNII
K0Q29TGV9Y
DrugBank ID
DB13066
TTD ID
D08UGX
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
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD 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 [2]
Cytochrome P450 26 (CYP26A1) TTD7Q0R CP26A_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5210).
2 Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64.
3 Novel azolyl-(phenylmethyl)]aryl/heteroarylamines: potent CYP26 inhibitors and enhancers of all-trans retinoic acid activity in neuroblastoma cells. Bioorg Med Chem. 2008 Sep 1;16(17):8301-13.