AZD8154   Click here for help

GtoPdb Ligand ID: 11204

Synonyms: AZD-8154 | Example 1 [WO2018055040A1]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: AZD8154 is one of the chemical structures in a patent from AstraZeneca that claims dual phosphatidylinositol 3-kinase (PI3K) δ/γ inhibitors [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 149.19
Molecular weight 551.17
XLogP 3.45
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C[C@H](N1Cc2c(C1=O)c(cc(c2)c1sc(nc1C)Nc1cccc(n1)N1CCCC1=O)S(=O)(=O)C)C1CC1
Isomeric SMILES C[C@H](N1Cc2c(C1=O)c(cc(c2)c1sc(nc1C)Nc1cccc(n1)N1CCCC1=O)S(=O)(=O)C)C1CC1
InChI InChI=1S/C27H29N5O4S2/c1-15-25(37-27(28-15)30-21-6-4-7-22(29-21)31-11-5-8-23(31)33)18-12-19-14-32(16(2)17-9-10-17)26(34)24(19)20(13-18)38(3,35)36/h4,6-7,12-13,16-17H,5,8-11,14H2,1-3H3,(H,28,29,30)/t16-/m0/s1
InChI Key XOMFDZJQLSPGGV-INIZCTEOSA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxopyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one
Synonyms Click here for help
AZD-8154 | Example 1 [WO2018055040A1]
Database Links Click here for help
GtoPdb PubChem SID 434122264
PubChem CID 141754136
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