AZD6482   Click here for help

GtoPdb Ligand ID: 8059

Synonyms: AZD 6482 | AZD-6482
PDB Ligand
Compound class: Synthetic organic
Comment: AZD6482 is an inhibitor of phosphatidylinositol-3 kinase activity with selectivity for the β isozyme [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 96.17
Molecular weight 408.18
XLogP 3.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cc(C(Nc2ccccc2C(=O)O)C)c2n(c1)c(=O)cc(n2)N1CCOCC1
Isomeric SMILES Cc1cc([C@H](Nc2ccccc2C(=O)O)C)c2n(c1)c(=O)cc(n2)N1CCOCC1
InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
InChI Key IRTDIKMSKMREGO-OAHLLOKOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
Synonyms Click here for help
AZD 6482 | AZD-6482
Database Links Click here for help
CAS Registry No. 1173900-33-8
ChEMBL Ligand CHEMBL2165191
GtoPdb PubChem SID 249565739
PubChem CID 44137675
RCSB PDB Ligand A82
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SynPHARM 81104 (in complex with phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma)

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Tocris
AZD 6482
Cat. No. 4839