ML355

Ligand id: 8752

Name: ML355

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 137.17
Molecular weight 441.08
XLogP 3.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide
Synonyms
ML-355
Database Links
CAS Registry No. 1532593-30-8 (source: PubChem)
ChEMBL Ligand CHEMBL3113165
PubChem CID 70701426
Search Google for chemical match using the InChIKey OWHBVKBNNRYMIN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OWHBVKBNNRYMIN
Search UniChem for chemical match using the InChIKey OWHBVKBNNRYMIN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OWHBVKBNNRYMIN
Comments
ML355 (compound 35 in the referenced article) inhibits the activity of arachidonate 12-lipoxygenase (12S-LOX, ALOX12), with selectivity compared to other LOX enzymes tested [1].