compound E22 [PMID: 31298542]

Ligand id: 10437

Name: compound E22 [PMID: 31298542]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 101.19
Molecular weight 525.11
XLogP 3.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-N-((3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-(methylamino)-2-oxoethyl)piperidin-3-yl)furan-2-carboxamide
Comments
Compound E22 is a pan-Akt (protein kinase B) inhibitor that was designed to combine anti-tumour efficacy with favourable drug-like properties [1].
Database Links
GtoPdb PubChem SID 385612197
Search Google for chemical match using the InChIKey SXDPQGRNHSLZPC-ZJNRKIDTSA-N
Search Google for chemicals with the same backbone SXDPQGRNHSLZPC
Search UniChem for chemical match using the InChIKey SXDPQGRNHSLZPC-ZJNRKIDTSA-N
Search UniChem for chemicals with the same backbone SXDPQGRNHSLZPC