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
SMILES / InChI / InChIKey
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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
InChI Key HDXDQPRPFRKGKZ-INIZCTEOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(3-fluorophenyl)-2-[(1S)-1-[(9H-purin-6-yl)amino]propyl]-4H-chromen-4-one
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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