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].
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 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
Click here for help
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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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
Search Google for chemical match using the InChIKey NVWKNQGHVMMAJW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NVWKNQGHVMMAJW
Search PubMed clinical trials linperlisib
Search PubMed titles linperlisib
Search PubMed titles/abstracts linperlisib
UniChem Compound Search for chemical match using the InChIKey NVWKNQGHVMMAJW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey NVWKNQGHVMMAJW-UHFFFAOYSA-N