compound 22 [PMID: 24754609]

Ligand id: 10234

Name: compound 22 [PMID: 24754609]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 122.2
Molecular weight 436.17
XLogP 2.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propylimidazol-4-yl)ethyl]urea
Comments
Compound 22 is an isoform-selective PI3Kγ inhibitor [1-2].
Database Links
BindingDB Ligand 50044287
ChEMBL Ligand CHEMBL3356900
GtoPdb PubChem SID 381744916
PubChem CID 73659199
RCSB PDB Ligand 2WH
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