Details of the Drug

General Information of Drug (ID: DM9LVR5)

Drug Name
3-(5-Thiophen-3-yl-pyridin-3-yl)-1H-indole
Synonyms 3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3a; AC1NS6N5; SCHEMBL7506919; BDBM5318; CHEMBL327518; 3-[5-(3-Thienyl)-3-pyridinyl]-1H-indole; 3-(5-thiophen-3-ylpyridin-3-yl)-1H-indole
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) 276.4
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H12N2S
IUPAC Name
3-(5-thiophen-3-ylpyridin-3-yl)-1H-indole
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CN=CC(=C3)C4=CSC=C4
InChI
InChI=1S/C17H12N2S/c1-2-4-17-15(3-1)16(10-19-17)14-7-13(8-18-9-14)12-5-6-20-11-12/h1-11,19H
InChIKey
GDLQJKCZVIUEDN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5329361
TTD ID
D0UX3T

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Vascular endothelial growth factor receptor 2 (KDR) TTUTJGQ VGFR2_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
Vascular endothelial growth factor receptor 2 (KDR) DTT KDR 1.98E-01 0.11 0.2
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Discovery and evaluation of 3-(5-thien-3-ylpyridin-3-yl)-1H-indoles as a novel class of KDR kinase inhibitors. Bioorg Med Chem Lett. 2003 Sep 15;13(18):2973-6.