amdizalisib   Click here for help

GtoPdb Ligand ID: 11699

Synonyms: compound 28 [PMID: 30582813] | compound 4 [WO2016045591A1]
Compound class: Synthetic organic
Comment: We obtained the chemical structure for amdizalisib from WHO Proposed list 125 of July 2021. This mapped to PubChem CID 118981804. Amdizalisib is one of the PI3Kδ/γ inhibitors in [1], and it is also claimed in Hutchison Medipharma's patent WO2016045591A1 [2]. Hutchison Medipharma's pipeline page lists one PI3Kδ lead agent, HMPL-689, but the name>structure has not been formally disclosed, so is speculative and made in good faith.
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2D Structure
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Canonical SMILES N#Cc1c(ncnc1N)N[C@H](c1cc2ncc(n2nc1c1ccccc1)Cl)C
Isomeric SMILES C[C@@H](c1cc2ncc(n2nc1c1ccccc1)Cl)Nc1ncnc(c1C#N)N
InChI InChI=1S/C19H15ClN8/c1-11(26-19-14(8-21)18(22)24-10-25-19)13-7-16-23-9-15(20)28(16)27-17(13)12-5-3-2-4-6-12/h2-7,9-11H,1H3,(H3,22,24,25,26)/t11-/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
11744 amdizalisib
Synonyms Click here for help
compound 28 [PMID: 30582813] | compound 4 [WO2016045591A1]
Database Links Click here for help
BindingDB Ligand 350391
ChEMBL Ligand CHEMBL4438249
GtoPdb PubChem SID 442878725
PubChem CID 118981804
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UniChem Compound Search for chemical match using the InChIKey WKDBRCUUDXLTIM-NSHDSACASA-N
UniChem Connectivity Search for chemical match using the InChIKey WKDBRCUUDXLTIM-NSHDSACASA-N