Details of the Drug

General Information of Drug (ID: DMJK98Z)

• Drug Name: Pyrrolidine carboxamide derivative 1
• Synonyms: PMID26882240-Compound-22
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 410.4
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C21H22N4O5
  IUPAC Name: (2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
  Canonical SMILES: CC1=NOC(=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCC3=CC=C(C=C3)C4=CN=CO4)O
  InChI: InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1
  InChIKey: HFCLIEBJTGJKSV-AEFFLSMTSA-N
• Cross-matching ID:
  PubChem CID: 56684144
  TTD ID: D0Q2SE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hypoxia-inducible factor 1 alpha (HIF-1A)	TTQHWNA	HIF1A_HUMAN	Inhibitor	[1]
von Hippel-Lindau disease tumor suppressor (VHL)	TTEMWSD	VHL_HUMAN	Inhibitor	[1]

References

• [1] Hypoxia-inducible factor (HIF) inhibitors: a patent survey (2011-2015).Expert Opin Ther Pat. 2016;26(3):309-22.