Ligand id: 7740

Name: ASP-3026

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 124.2
Molecular weight 580.29
XLogP 4.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
ASP-3026 is effective against NPM-ALK⁺ T-cell anaplastic large-cell lymphoma in vitro and in vivo [1]. It also effective against tumour cells expressing the EML4-ALK rearrangement, even when possessing a crizotinib-resistance-conferring gatekeeper mutation (L1196M) [2] (in vivo and in vitro results).
We have been unable to find affinity data for ASP-3026 using recombinant ALK protein.