Details of the Drug

General Information of Drug (ID: DM5EJLD)

Drug Name
3-[2-(5-Chloro-2-thienyl)pyridin-4-yl]phenol
Synonyms CHEMBL1096026; 3-[2-(5-Chloro-2-thienyl)pyridin-4-yl]phenol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 287.8
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H10ClNOS
IUPAC Name
3-[2-(5-chlorothiophen-2-yl)pyridin-4-yl]phenol
Canonical SMILES
C1=CC(=CC(=C1)O)C2=CC(=NC=C2)C3=CC=C(S3)Cl
InChI
InChI=1S/C15H10ClNOS/c16-15-5-4-14(19-15)13-9-11(6-7-17-13)10-2-1-3-12(18)8-10/h1-9,18H
InChIKey
IJRUJPYMZCIXQJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46887579
ChEBI ID
CHEMBL1096026
TTD ID
D0QX5D
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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]
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.