Details of the Drug

General Information of Drug (ID: DMWAL5Q)

• Drug Name: US9409892, 59
• Synonyms: SCHEMBL15268697; CHEMBL3893917; QBSUFMQXFVGWJT-UHFFFAOYSA-N; BDBM240964; US9409892, 59; 3-{[1-Cyano-4-hydroxy-7-(naphthalen-2-yloxy)-isoquinoline-3-carbonyl]-amino}-2,2-dimethyl-propionic acid
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 455.5
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C26H21N3O5
  IUPAC Name: 3-[(1-cyano-4-hydroxy-7-naphthalen-2-yloxyisoquinoline-3-carbonyl)amino]-2,2-dimethylpropanoic acid
  Canonical SMILES: CC(C)(CNC(=O)C1=C(C2=C(C=C(C=C2)OC3=CC4=CC=CC=C4C=C3)C(=N1)C#N)O)C(=O)O
  InChI: InChI=1S/C26H21N3O5/c1-26(2,25(32)33)14-28-24(31)22-23(30)19-10-9-18(12-20(19)21(13-27)29-22)34-17-8-7-15-5-3-4-6-16(15)11-17/h3-12,30H,14H2,1-2H3,(H,28,31)(H,32,33)
  InChIKey: QBSUFMQXFVGWJT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 89813011
  TTD ID: D0R4CX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
HIF-prolyl hydroxylase 2 (HPH-2)	TT9ISBX	EGLN1_HUMAN	Inhibitor	[1]

References

• [1] 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors. US9409892.