Details of the Drug

General Information of Drug (ID: DMF369N)

Drug Name
3-(2-phenyl-6-(thiophen-3-yl)pyridin-4-yl)-phenol
Synonyms CHEMBL1094745
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
Topological Polar Surface Area (xlogp) 5.1
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-3-ylpyridin-4-yl)phenol
Canonical SMILES
C1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC(=CC=C3)O)C4=CSC=C4
InChI
InChI=1S/C21H15NOS/c23-19-8-4-7-16(11-19)18-12-20(15-5-2-1-3-6-15)22-21(13-18)17-9-10-24-14-17/h1-14,23H
InChIKey
GWFRFJZJQITLHW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46887243
TTD ID
D0V2KV

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.
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
3 Etoposide, topoisomerase II and cancer.Curr Med Chem Anticancer Agents.2005 Jul;5(4):363-72.
4 Mitoxantrone, a topoisomerase II inhibitor, induces apoptosis of B-chronic lymphocytic leukaemia cells. Br J Haematol. 1998 Jan;100(1):142-6.
5 Inhibition of human topoisomerase IIalpha by fluoroquinolones and ultraviolet A irradiation. Toxicol Sci. 2002 Sep;69(1):16-22.
6 Antitumor properties of podophyllotoxin and related compounds. Curr Pharm Des. 2000 Dec;6(18):1811-39.
7 Clinical pharmacokinetics of the newer antibacterial 4-quinolones. Clin Pharmacokinet. 1988 Feb;14(2):96-121.