Details of the Drug

General Information of Drug (ID: DMSX47Q)

• Drug Name: Phenylpyrrolidinone derivative 4
• Synonyms: PMID27646439-Compound-8
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 437.4
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C23H18F3N5O
  IUPAC Name: 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one
  Canonical SMILES: CN1C=C(C2=C(N=CN=C21)N)C3=C(C=C(C=C3)N4CCC(C4=O)C5=CC(=CC(=C5)F)F)F
  InChI: InChI=1S/C23H18F3N5O/c1-30-10-18(20-21(27)28-11-29-22(20)30)17-3-2-15(9-19(17)26)31-5-4-16(23(31)32)12-6-13(24)8-14(25)7-12/h2-3,6-11,16H,4-5H2,1H3,(H2,27,28,29)
  InChIKey: JZSDPOSETBCTOH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118373037
  TTD ID: D0Z5NP

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.