neolymphostin A

Ligand id: 10151

Name: neolymphostin A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 106.67
Molecular weight 338.14
XLogP 0.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
compound 4 [PMID: 30380865]
Comments
Neolymphostin A is a natural product that was isolated from the marine actinomycetes bacterium Salinispora arenicola CNY-486 [1]. It was shown to be a dual inhibitor of PI3K/mTOR in vitro. It covalently modifies Lys802 of human PI3Kα in tandem MS/MS experiments. This is claimed to be the first example of a covalent kinase inhibitor to be isolated from bacteria.
Database Links
GtoPdb PubChem SID 381118861
PubChem CID 44625563
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