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
• #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
  ChEBI ID: CHEMBL207483
  CAS Number: 200706-56-5
  TTD ID: D0G5YI
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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 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

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.