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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SMILES / InChI / InChIKey
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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
InChI Key WKDBRCUUDXLTIM-NSHDSACASA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
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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