Details of the Drug

General Information of Drug (ID: DMUCIPE)

• Drug Name: US9650366, 9
• Synonyms: SCHEMBL17670002; OGVARLFWIBVKET-UHFFFAOYSA-N; BDBM308058; US9650366, 9; N-[3-({5-[2-(3-hydroxypropyl)-2H-tetrazol-5-yl]pyridin-3-yl}ethynyl)phenyl]-3-methyl-2-furamide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 428.4
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C23H20N6O3
  IUPAC Name: N-[3-[2-[5-[2-(3-hydroxypropyl)tetrazol-5-yl]pyridin-3-yl]ethynyl]phenyl]-3-methylfuran-2-carboxamide
  Canonical SMILES: CC1=C(OC=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CN=C3)C4=NN(N=N4)CCCO
  InChI: InChI=1S/C23H20N6O3/c1-16-8-11-32-21(16)23(31)25-20-5-2-4-17(13-20)6-7-18-12-19(15-24-14-18)22-26-28-29(27-22)9-3-10-30/h2,4-5,8,11-15,30H,3,9-10H2,1H3,(H,25,31)
  InChIKey: OGVARLFWIBVKET-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121268893
  TTD ID: D0Z0BQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosine-protein kinase EIF2AK2 (p68)	TTXEZJ4	E2AK2_HUMAN	Inhibitor	[1]

References

• [1] Heterocycle-substituted pyridyl benzothiophenes as kinase inhibitors. US9650366.