Details of the Drug

General Information of Drug (ID: DM63T9D)

Drug Name
3-(2-phenyl-6-(thiophen-2-yl)pyridin-4-yl)-phenol
Synonyms CHEMBL1096659
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): 1 Molecular Weight (mw) 329.4
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H15NOS
IUPAC Name
3-(2-phenyl-6-thiophen-2-ylpyridin-4-yl)phenol
Canonical SMILES
C1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC(=CC=C3)O)C4=CC=CS4
InChI
InChI=1S/C21H15NOS/c23-18-9-4-8-16(12-18)17-13-19(15-6-2-1-3-7-15)22-20(14-17)21-10-5-11-24-21/h1-14,23H
InChIKey
VNKCREXUIZRWPF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46887242
TTD ID
D08YKN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA topoisomerase II (TOP2) TT0IHXV TOP2A_HUMAN ; TOP2B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis, topoisomerase I and II inhibitory activity, cytotoxicity, and structure-activity relationship study of hydroxylated 2,4-diphenyl-6-aryl ... Bioorg Med Chem. 2010 May 1;18(9):3066-77.