ML351

Ligand id: 10263

Name: ML351

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 61.85
Molecular weight 249.09
XLogP 3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
Comments
ML351 is a potent and selective inhibitor of human 15-lipoxygenase-1 [1]. It was used as a probe to demonstrate proof-of-concept of the therapeutic potential of selective inhibition of 15-LOX-1 in stroke models.
Database Links
GtoPdb PubChem SID 381744944
Search Google for chemical match using the InChIKey DYXYXTDIFMDJIR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DYXYXTDIFMDJIR
Search UniChem for chemical match using the InChIKey DYXYXTDIFMDJIR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DYXYXTDIFMDJIR

Product suppliers

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Tocris
ML 351
Cat. No. 6448