tenalisib   Click here for help

GtoPdb Ligand ID: 9907

Synonyms: RP-6530 | RP6530
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Tenalisib (RP6530) is an orally active dual PI3K δ/γ inhibitor that is being developed by Rhizen Pharmaceuticals for the potential oral treatment of cancer [4] and inflammation. The chemical structure and its use are claimed in patent US9790224 where it is called Compound A1 [5].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 96.7
Molecular weight 415.14
XLogP 5.45
No. Lipinski's rules broken 1
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Canonical SMILES CCC(c1oc2ccccc2c(=O)c1c1cccc(c1)F)Nc1ncnc2c1[nH]cn2
Isomeric SMILES CC[C@@H](c1oc2ccccc2c(=O)c1c1cccc(c1)F)Nc1ncnc2c1[nH]cn2
InChI InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m0/s1
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
10249 tenalisib
Synonyms Click here for help
RP-6530 | RP6530
Database Links Click here for help
CAS Registry No. 1639417-53-0 (source: WHO INN record)
GtoPdb PubChem SID 363894201
PubChem CID 86291103
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