AZD8835   Click here for help

GtoPdb Ligand ID: 8915

Synonyms: AZD 8835 | AZD-8835 | compound 25 [PMID: 26475521]
Compound class: Synthetic organic
Comment: AZD8835 is an inhibitor of the α and δ isoforms of phosphoinositide 3-kinase (PI3K) [1]. The compound's physical properties suggest it is suitable for oral administration.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 161.97
Molecular weight 469.25
XLogP 1.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCCC(=O)N1CCC(CC1)c1nn(c(n1)c1cnc(c(n1)c1nnc(o1)C(C)(C)C)N)CC
Isomeric SMILES OCCC(=O)N1CCC(CC1)c1nn(c(n1)c1cnc(c(n1)c1nnc(o1)C(C)(C)C)N)CC
InChI InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)
InChI Key ZGRDYKFVDCFJCZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(4-{5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1H-1,2,4-triazol-3-yl}piperidin-1-yl)-3-hydroxypropan-1-one
Synonyms Click here for help
AZD 8835 | AZD-8835 | compound 25 [PMID: 26475521]
Database Links Click here for help
GtoPdb PubChem SID 310264696
PubChem CID 76685059
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