Details of the Drug

General Information of Drug (ID: DMMFC0V)

• Drug Name: US9409892, 136
• Synonyms: SCHEMBL15268512; CHEMBL3893046; WTLXLQBMAJRSSQ-UHFFFAOYSA-N; BDBM241041; US9409892, 136; 3-{[1-(5-Fluoro-pyridin-3-yl)-4-hydroxy-7-phenoxy-isoquinoline-3-carbonyl]amino}-2,2-dimethyl-propionic acid
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 475.5
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C26H22FN3O5
  IUPAC Name: 3-[[1-(5-fluoropyridin-3-yl)-4-hydroxy-7-phenoxyisoquinoline-3-carbonyl]amino]-2,2-dimethylpropanoic acid
  Canonical SMILES: CC(C)(CNC(=O)C1=C(C2=C(C=C(C=C2)OC3=CC=CC=C3)C(=N1)C4=CC(=CN=C4)F)O)C(=O)O
  InChI: InChI=1S/C26H22FN3O5/c1-26(2,25(33)34)14-29-24(32)22-23(31)19-9-8-18(35-17-6-4-3-5-7-17)11-20(19)21(30-22)15-10-16(27)13-28-12-15/h3-13,31H,14H2,1-2H3,(H,29,32)(H,33,34)
  InChIKey: WTLXLQBMAJRSSQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71735619
  TTD ID: D0VK5C

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.