Details of the Drug | DrugMAP

General Information of Drug (ID: DMZSTLH)

Drug Name	Phenylpyrrolidinone derivative 5
Synonyms	PMID27646439-Compound-9
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			401.5
	Logarithm of the Partition Coefficient (xlogp)			2.4
	Rotatable Bond Count (rotbonds)			3
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C22H23N7O IUPAC Name 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-2-one Canonical SMILES CC1=CC(=NN1C2CCN(C2=O)C3=CC=C(C=C3)C4=CN(C5=NC=NC(=C45)N)C)C InChI InChI=1S/C22H23N7O/c1-13-10-14(2)29(26-13)18-8-9-28(22(18)30)16-6-4-15(5-7-16)17-11-27(3)21-19(17)20(23)24-12-25-21/h4-7,10-12,18H,8-9H2,1-3H3,(H2,23,24,25) InChIKey WBRYMNNSAHRQTO-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 118373061 TTD ID D0D4FR

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)

Jump to Detail Molecular Interaction Atlas of This Drug

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.