Details of the Drug | DrugMAP

General Information of Drug (ID: DMPZKQN)

Drug Name	Phenylpyrrolidinone derivative 3
Synonyms	PMID27646439-Compound-7
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			397.5
	Logarithm of the Partition Coefficient (xlogp)			3.4
	Rotatable Bond Count (rotbonds)			3
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C24H23N5O IUPAC Name 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-methyl-3-phenylpyrrolidin-2-one Canonical SMILES CC1(CCN(C1=O)C2=CC=C(C=C2)C3=CN(C4=NC=NC(=C34)N)C)C5=CC=CC=C5 InChI InChI=1S/C24H23N5O/c1-24(17-6-4-3-5-7-17)12-13-29(23(24)30)18-10-8-16(9-11-18)19-14-28(2)22-20(19)21(25)26-15-27-22/h3-11,14-15H,12-13H2,1-2H3,(H2,25,26,27) InChIKey CMUGNAXHKVXXNK-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 118368356 TTD ID D04AMY

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]

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Molecular Interaction Atlas (MIA)

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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.