linperlisib   Click here for help

GtoPdb Ligand ID: 10466

Synonyms: compound 10 [US20160244432] | PI3Kdelta-IN-2 | YY-20394 | YY20394
Compound class: Synthetic organic
Comment: Linperlisib (YY-20394) is a PI3Kδ inhibitor claimed by Shanghai Yingli Pharmaceutical Company in their patent US20160244432A1 (as compound 10) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 138.39
Molecular weight 588.25
XLogP 3.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ncc(cc1NS(=O)(=O)C)c1nc(nc2c1cc(F)cc2CN1CCC(CC1)C(O)(C)C)N1CCOCC1
Isomeric SMILES COc1ncc(cc1NS(=O)(=O)C)c1nc(nc2c1cc(F)cc2CN1CCC(CC1)C(O)(C)C)N1CCOCC1
InChI InChI=1S/C28H37FN6O5S/c1-28(2,36)20-5-7-34(8-6-20)17-19-13-21(29)15-22-24(31-27(32-25(19)22)35-9-11-40-12-10-35)18-14-23(33-41(4,37)38)26(39-3)30-16-18/h13-16,20,33,36H,5-12,17H2,1-4H3
InChI Key NVWKNQGHVMMAJW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[5-[6-fluoro-8-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylquinazolin-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide
International Nonproprietary Names Click here for help
INN number INN
11065 linperlisib
Synonyms Click here for help
compound 10 [US20160244432] | PI3Kdelta-IN-2 | YY-20394 | YY20394
Database Links Click here for help
BindingDB Ligand 309960
CAS Registry No. 1702816-75-8 (source: WHO INN record)
GtoPdb PubChem SID 385612226
PubChem CID 91754520
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