Details of the Drug

General Information of Drug (ID: DMTPGRO)

• Drug Name: Indoline derivative 10
• Synonyms: PMID27646439-Compound-18
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 493.6
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C29H27N5O3
  IUPAC Name: 1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
  Canonical SMILES: CC1=C(C2=CC=CC=C2N1)CC(=O)N3CCC4=C3C=CC(=C4)NC5=NC=NC6=CC(=C(C=C65)OC)OC
  InChI: InChI=1S/C29H27N5O3/c1-17-21(20-6-4-5-7-23(20)32-17)14-28(35)34-11-10-18-12-19(8-9-25(18)34)33-29-22-13-26(36-2)27(37-3)15-24(22)30-16-31-29/h4-9,12-13,15-16,32H,10-11,14H2,1-3H3,(H,30,31,33)
  InChIKey: XPDZQQQJQXPBBO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86281829
  TTD ID: D0RX8U

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.