Details of the Drug

General Information of Drug (ID: DMSZ1VC)

Drug Name
3-(4-phenyl-2,4'-bipyridin-6-yl)phenol
Synonyms CHEMBL1095650
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) 324.4
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C22H16N2O
IUPAC Name
3-(4-phenyl-6-pyridin-4-ylpyridin-2-yl)phenol
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC(=CC=C3)O)C4=CC=NC=C4
InChI
InChI=1S/C22H16N2O/c25-20-8-4-7-18(13-20)22-15-19(16-5-2-1-3-6-16)14-21(24-22)17-9-11-23-12-10-17/h1-15,25H
InChIKey
CBYVMWRLWYKHTF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46861757
TTD ID
D0I6EJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA topoisomerase I (TOP1) TTGTQHC TOP1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
DNA topoisomerase I (TOP1) DTT TOP1 6.65E-01 0.2 0.39
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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.