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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:135316
CAS Number: 115575-11-6
DrugBank ID: DB13066
TTD ID: D08UGX

Combinatorial Drugs (CBD)

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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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 26A1 (CYP26A1)	OTL1DFWV	CP26A_HUMAN	Gene/Protein Processing	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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.
4	Discovery of inhibitors of MCF-7 tumor cell adhesion to endothelial cells and investigation on their mode of action. Arch Pharm (Weinheim). 2004 Dec;337(12):687-94. doi: 10.1002/ardp.200400622.