Details of the Drug

General Information of Drug (ID: DMW4O31)

Drug Name
4-(furan-3-yl)-2,6-di(thiophen-2-yl)pyridine
Synonyms CHEMBL601911
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) 309.4
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H11NOS2
IUPAC Name
4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
Canonical SMILES
C1=CSC(=C1)C2=CC(=CC(=N2)C3=CC=CS3)C4=COC=C4
InChI
InChI=1S/C17H11NOS2/c1-3-16(20-7-1)14-9-13(12-5-6-19-11-12)10-15(18-14)17-4-2-8-21-17/h1-11H
InChIKey
HCNMYINNCZEXQR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46224813
TTD ID
D03CVY

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 2,6-Dithienyl-4-furyl pyridines: Synthesis, topoisomerase I and II inhibition, cytotoxicity, structure-activity relationship, and docking study. Bioorg Med Chem Lett. 2010 Jan 1;20(1):42-7.