SAR260301   Click here for help

GtoPdb Ligand ID: 8793

Synonyms: compound 28 [PMID: 24387221] | SAR-260301
PDB Ligand
Compound class: Synthetic organic
Comment: SAR260301 (compound 28 [PMID: 24387221]) was reported in a discovery effort to optimize pyrimidone indoline amide inhibitors of PI3Kβ [2]. It is an orally bioavailable compound that is selective for PI3Kβ over other PI3 kinases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 78.53
Molecular weight 354.17
XLogP 3.39
No. Lipinski's rules broken 0
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Canonical SMILES CC1Cc2c(N1C(=O)Cc1nc(=O)cc([nH]1)N1CCOCC1)cccc2
Isomeric SMILES C[C@H]1Cc2c(N1C(=O)Cc1nc(=O)cc([nH]1)N1CCOCC1)cccc2
InChI InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)/t13-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 28 [PMID: 24387221] | SAR-260301
Database Links Click here for help
ChEMBL Ligand CHEMBL3112866
GtoPdb PubChem SID 252827451
PubChem CID 135565159
RCSB PDB Ligand J82
Search Google for chemical match using the InChIKey UAXHPOBBKRWJGA-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone UAXHPOBBKRWJGA
UniChem Compound Search for chemical match using the InChIKey UAXHPOBBKRWJGA-ZDUSSCGKSA-N
UniChem Connectivity Search for chemical match using the InChIKey UAXHPOBBKRWJGA-ZDUSSCGKSA-N