Vlx-1005
N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide
Molecular Identity
Vlx-1005
N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide
PubChem CID: 70701426
ML355 is a sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis. It has a role as a platelet aggregation inhibitor and an EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor. It is a monomethoxybenzene, a member of phenols, a sulfonamide, a member of benzothiazoles, a substituted aniline and a secondary amino compound. It is functionally related to a 2-aminobenzothiazole.
2D Structure
Properties
C21H19N3O4S2
Molecular Formula
441.50
Molecular Weight
g/mol
441.0817
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
137
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
651
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4S3Isomeric SMILES
SMILES: COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4S3Synonyms(20)
ML3551532593-30-8VLX-1005ML-355JKU4XCC48YBenzenesulfonamide, N-2-benzothiazolyl-4-(((2-hydroxy-3-methoxyphenyl)methyl)amino)-N-2-Benzothiazolyl-4-(((2-hydroxy-3-methoxyphenyl)methyl)amino)benzenesulfonamideN-2-Benzothiazolyl-4-[[(2-hydroxy-3-methoxyphenyl)methyl]amino]benzenesulfonamideRefChem:194590ML355 free baseN-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamideN-(benzo[d]thiazol-2-yl)-4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamideML 355CHEMBL3113165N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Vlx-1005
Loading drug network...