Details of the Drug

General Information of Drug (ID: DMM4HF8)

Drug Name

3'-(5-Chloro-2-thienyl)biphenyl-3-ol

Synonyms

CHEMBL1097014; BDBM50318419

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

286.8

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H11ClOS
IUPAC Name: 3-[3-(5-chlorothiophen-2-yl)phenyl]phenol
Canonical SMILES: C1=CC(=CC(=C1)C2=CC=C(S2)Cl)C3=CC(=CC=C3)O
InChI: InChI=1S/C16H11ClOS/c17-16-8-7-15(19-16)13-5-1-3-11(9-13)12-4-2-6-14(18)10-12/h1-10,18H
InChIKey: IBTNRYGKAUWUJS-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1)	TTIWB6L	DHB1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Novel estrone mimetics with high 17beta-HSD1 inhibitory activity. Bioorg Med Chem. 2010 May 15;18(10):3494-505.