Details of the Drug

General Information of Drug (ID: DM6JR3X)

• Drug Name: Indoline derivative 11
• Synonyms: PMID27646439-Compound-19
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 523.4
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C24H23BrN6O3
  IUPAC Name: 2-(4-bromo-2-methylpyrazol-3-yl)-1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone
  Canonical SMILES: CN1C(=C(C=N1)Br)CC(=O)N2CCC3=C2C=CC(=C3)NC4=NC=NC5=CC(=C(C=C54)OC)OC
  InChI: InChI=1S/C24H23BrN6O3/c1-30-20(17(25)12-28-30)11-23(32)31-7-6-14-8-15(4-5-19(14)31)29-24-16-9-21(33-2)22(34-3)10-18(16)26-13-27-24/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,26,27,29)
  InChIKey: KVVYJCRBQJOKHQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 117636505
  TTD ID: D0G5EI

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.