Details of the Drug

General Information of Drug (ID: DMRTL63)

• Drug Name: US8536181, C17
• Synonyms: SCHEMBL272935; CHEMBL3649592; BDBM102336; US8536181, C17
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 326.4
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C20H26N2O2
  IUPAC Name: 1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one
  Canonical SMILES: CC1CCC(CC1)NCC2=C(C(=O)N(C=C2)CC3=CC=CC=C3)O
  InChI: InChI=1S/C20H26N2O2/c1-15-7-9-18(10-8-15)21-13-17-11-12-22(20(24)19(17)23)14-16-5-3-2-4-6-16/h2-6,11-12,15,18,21,23H,7-10,13-14H2,1H3
  InChIKey: VJHCNYYTYSQTGD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10042063
  TTD ID: D01PPR

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] Methods for increasing the stabilization of hypoxia inducible factor-1 alpha. US8778412.