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].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
SMILES / InChI / InChIKey
Click here for help
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
InChI Key YDNOHCOYQVZOMC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
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
Search Google for chemical match using the InChIKey YDNOHCOYQVZOMC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YDNOHCOYQVZOMC
Search UniChem for chemical match using the InChIKey YDNOHCOYQVZOMC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YDNOHCOYQVZOMC

Product suppliers

View disclaimer

Tocris
PI 3065
Cat. No. 5919