Details of the Drug

General Information of Drug (ID: DM0A54V)

Drug Name
D-65476
Synonyms bis(1H-2-indolyl)methanone deriv. 52
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 346.4
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H18N2O3
IUPAC Name
[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] butanoate
Canonical SMILES
CCCC(=O)OC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C21H18N2O3/c1-2-5-20(24)26-15-8-9-17-14(10-15)12-19(23-17)21(25)18-11-13-6-3-4-7-16(13)22-18/h3-4,6-12,22-23H,2,5H2,1H3
InChIKey
CZDUJGOCEPWCNA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5330548
TTD ID
D03DJR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Platelet-derived growth factor receptor alpha (PDGFRA) TT8FYO9 PGFRA_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
Platelet-derived growth factor receptor alpha (PDGFRA) DTT PDGFRA 3.46E-01 -0.23 -1.55
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Bis(1H-2-indolyl)methanones as a novel class of inhibitors of the platelet-derived growth factor receptor kinase. J Med Chem. 2002 Feb 28;45(5):1002-18.