Details of the Drug

General Information of Drug (ID: DMBTMO9)

• Drug Name: BMS-645737
• Synonyms: 651744-16-0; BMS-645737; BMS645737; 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; UNII-86H6HFH34L; 86H6HFH34L; CHEMBL261592; 6-(5-methyl-1,3,4-oxadiazol-2-yl)-n-{2-methyl-1h-pyrrolo[2,3-b]pyridin-5-yl}-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; 5-Isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo-[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; C20H20N8O

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); 388.4
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C20H20N8O
  IUPAC Name: 6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
  Canonical SMILES: CC1=CC2=CC(=CN=C2N1)NC3=NC=NN4C3=C(C(=C4)C5=NN=C(O5)C)C(C)C
  InChI: InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
  InChIKey: OOQXPATWSOGSAV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 22273644
  CAS Number: 651744-16-0
  TTD ID: D0Z7TM

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]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

References

• [1] Discovery and preclinical studies of 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]t... Bioorg Med Chem Lett. 2008 May 1;18(9):2985-9.