compound 2q [PMID: 30986068]

Ligand id: 10365

Name: compound 2q [PMID: 30986068]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 100.19
Molecular weight 439.23
XLogP 1.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(3S)-3-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
Synonyms
example 2-8 [US20150353552]
Comments
Compound 2q is a PI3Kδ selective inhibitor [2]. It is one of the chemical structures that is claimed in Merck and Shanghai Chempartners' patent US20150353552A1 [1].
Database Links
GtoPdb PubChem SID 384403645
PubChem CID 118556943
RCSB PDB Ligand K47
Search Google for chemical match using the InChIKey FHKPLLOSJHHKNU-INIZCTEOSA-N
Search Google for chemicals with the same backbone FHKPLLOSJHHKNU
Search UniChem for chemical match using the InChIKey FHKPLLOSJHHKNU-INIZCTEOSA-N
Search UniChem for chemicals with the same backbone FHKPLLOSJHHKNU