compound 8d [PMID: 15027864]

Ligand id: 8659

Name: compound 8d [PMID: 15027864]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 11
Topological polar surface area 173.26
Molecular weight 354.11
XLogP -0.11
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid
Database Links
ChEMBL Ligand CHEMBL297489
GtoPdb PubChem SID 252166859
PubChem CID 10043679
Search Google for chemical match using the InChIKey QXWVJRPYHOYHHT-QWRGUYRKSA-N
Search Google for chemicals with the same backbone QXWVJRPYHOYHHT
Search UniChem for chemical match using the InChIKey QXWVJRPYHOYHHT-QWRGUYRKSA-N
Search UniChem for chemicals with the same backbone QXWVJRPYHOYHHT
Comments
Compound 8d is reported as the lead compound in a study to find inhibitors of the neuropeptidase glutamate carboxypeptidase II (GCPII, which is encoded by the FOLH1 gene) which have drug-like pharmacokinetic and pharmacodynamic properties, in particular having the ability to cross the blood-brain barrier [1]. FOLH1 inhibitors have been investigated for their potential to treat conditions such as neuropathic and inflammatory pain, head injury, stroke, schizophrenia, diabetic neuropathy, prostate cancer, and neurodegenerative diseases.