Details of the Drug

General Information of Drug (ID: DMF9LNO)

• Drug Name: US8536181, A41
• Synonyms: SCHEMBL1770480; CHEMBL3115298; UPJZLOCUUOIMNC-UHFFFAOYSA-N; BDBM102348; US8536181, A41; tert-butyl 4-((1-(4-chlorobenzyl)-3-hydroxy-2-oxo-1,2-dihydropyridin-4-yl)methyl)piperazine-1-carboxylate
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 433.9
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H28ClN3O4
  IUPAC Name: tert-butyl 4-[[1-[(4-chlorophenyl)methyl]-3-hydroxy-2-oxopyridin-4-yl]methyl]piperazine-1-carboxylate
  Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(C(=O)N(C=C2)CC3=CC=C(C=C3)Cl)O
  InChI: InChI=1S/C22H28ClN3O4/c1-22(2,3)30-21(29)25-12-10-24(11-13-25)15-17-8-9-26(20(28)19(17)27)14-16-4-6-18(23)7-5-16/h4-9,27H,10-15H2,1-3H3
  InChIKey: UPJZLOCUUOIMNC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 52912218
  TTD ID: D00IKR

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] Prolyl hydroxylase inhibitors. US8536181.