PI-3065   Click here for help

GtoPdb Ligand ID: 8242

Synonyms: PI 3065
Compound class: Synthetic organic
Comment: PI-3065 is reported as a selective inhibitor of phosphatidylinositol 3-kinase (PI3K) δ [1]. The compound is >70 fold selective for PI3Kδ compared to PI3Kβ, and has even higher selectivity compared to the δ and α isoforms. In a profile screening set of 72 kinases no significant off-targets were identified [1].
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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 6
Topological polar surface area 88.76
Molecular weight 506.23
XLogP 3.35
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc2c(c1c1nc3cc(sc3c(n1)N1CCOCC1)CN1CCN(CC1)CC1CC1)cc[nH]2
Isomeric SMILES Fc1ccc2c(c1c1nc3cc(sc3c(n1)N1CCOCC1)CN1CCN(CC1)CC1CC1)cc[nH]2
InChI InChI=1S/C27H31FN6OS/c28-21-3-4-22-20(5-6-29-22)24(21)26-30-23-15-19(17-33-9-7-32(8-10-33)16-18-1-2-18)36-25(23)27(31-26)34-11-13-35-14-12-34/h3-6,15,18,29H,1-2,7-14,16-17H2
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
PI 3065
Database Links Click here for help
CAS Registry No. 955977-50-1
GtoPdb PubChem SID 249565922
PubChem CID 24937012
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PI 3065 (links to external site)
Cat. No. 5919