Details of the Drug

General Information of Drug (ID: DMPAI5C)

• Drug Name: Phenylpyrrolidinone derivative 1
• Synonyms: PMID27646439-Compound-10
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 468.4
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C23H19F3N6O2
  IUPAC Name: 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-hydroxy-3-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-2-one
  Canonical SMILES: CN1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)N4CCC(C4=O)(C5=NC(=CC=C5)C(F)(F)F)O
  InChI: InChI=1S/C23H19F3N6O2/c1-31-11-15(18-19(27)28-12-29-20(18)31)13-5-7-14(8-6-13)32-10-9-22(34,21(32)33)16-3-2-4-17(30-16)23(24,25)26/h2-8,11-12,34H,9-10H2,1H3,(H2,27,28,29)
  InChIKey: DHELRXCAKDZMKY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118373075
  TTD ID: D08JII

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PRKR-like endoplasmic reticulum kinase (PERK)	TT5OU0D	E2AK3_HUMAN	Inhibitor	[1]

References

• [1] Protein kinase R(PKR)-like endoplasmic reticulum kinase (PERK) inhibitors: a patent review (2010-2015).Expert Opin Ther Pat. 2017 Jan;27(1):37-48.