Details of the Drug

General Information of Drug (ID: DM7KDNM)

• Drug Name: (1H-indol-2-yl)(6-methoxy-1H-indol-2-yl)methanone
• Synonyms: CHEMBL7602; Bis(1H-2-indolyl)methanone 12; AC1NS9C2; SCHEMBL6864570; BDBM6574; ZINC13472534; 6-Methoxy-[2,2'-carbonylbis(1H-indole)]; 2-(1H-indol-2-ylcarbonyl)-6-methoxy-1H-indole; 1H-indol-2-yl-(6-methoxy-1H-indol-2-yl)methanone

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); 290.3
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C18H14N2O2
  IUPAC Name: 1H-indol-2-yl-(6-methoxy-1H-indol-2-yl)methanone
  Canonical SMILES: COC1=CC2=C(C=C1)C=C(N2)C(=O)C3=CC4=CC=CC=C4N3
  InChI: InChI=1S/C18H14N2O2/c1-22-13-7-6-12-9-17(20-15(12)10-13)18(21)16-8-11-4-2-3-5-14(11)19-16/h2-10,19-20H,1H3
  InChIKey: RSMLCEQJLGXMPQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5330528
  TTD ID: D0D7ZL

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.