RasGRP activator 1

Ligand id: 10066

Name: RasGRP activator 1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 77.76
Molecular weight 413.22
XLogP 4.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(4E)-2-(hydroxymethyl)-4-[(1-methylindol-3-yl)methylidene]-5-oxooxolan-2-yl]methyl 2-propylpentanoate
Synonyms
compound 1 [PMID: 24794745]
Comments
This is a DAG-indololactone class compound that was developed as an activator of RAS guanyl releasing proteins (RasGRP) that can discriminate between RasGRPs and protein kinase C (PKC) isoforms [1].
Database Links
BindingDB Ligand 50244449
ChEMBL Ligand CHEMBL519741
GtoPdb PubChem SID 375973254
PubChem CID 25053598
Search Google for chemical match using the InChIKey SIWILCBNYOGJQH-LDADJPATSA-N
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Search UniChem for chemical match using the InChIKey SIWILCBNYOGJQH-LDADJPATSA-N
Search UniChem for chemicals with the same backbone SIWILCBNYOGJQH