Details of the Drug

General Information of Drug (ID: DM3DR6J)

Drug Name
Di(1H-indol-2-yl)methanone
Synonyms CHEMBL207483; 200706-56-5; di(1H-indol-2-yl)methanone; indolyl ketone; Di(1H-indole-2-yl) ketone; SCHEMBL370573; Methanone, di-1H-indol-2-yl-; ZINC24262; CTK0J0872; DTXSID70436953
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) 260.29
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C17H12N2O
IUPAC Name
bis(1H-indol-2-yl)methanone
Canonical SMILES
C1=CC=C2C(=C1)C=C(N2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C17H12N2O/c20-17(15-9-11-5-1-3-7-13(11)18-15)16-10-12-6-2-4-8-14(12)19-16/h1-10,18-19H
InChIKey
GQJIQKLWZMQQGO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10220822
CAS Number
200706-56-5
TTD ID
D0G5YI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fms-like tyrosine kinase 3 (FLT-3) TTGJCWZ FLT3_HUMAN Inhibitor [1]
Platelet-derived growth factor receptor alpha (PDGFRA) TT8FYO9 PGFRA_HUMAN Inhibitor [1]
Platelet-derived growth factor receptor beta (PDGFRB) TTI7421 PGFRB_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 beta (PDGFRB) DTT PDGFRB 5.35E-10 0.36 0.89
Fms-like tyrosine kinase 3 (FLT-3) DTT FLT3 2.11E-01 -0.05 -0.16
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel bis(1H-indol-2-yl)methanones as potent inhibitors of FLT3 and platelet-derived growth factor receptor tyrosine kinase. J Med Chem. 2006 Jun 1;49(11):3101-15.