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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:ML355
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Accession:CHEBI:195557 term browser browse the term
Definition: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.
Synonyms:exact_synonym: N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonamide
 related_synonym: Formula=C21H19N3O4S2;   InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24);   InChIKey=OWHBVKBNNRYMIN-UHFFFAOYSA-N;   ML-355;   N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide;   SMILES=COC1=CC=CC(CNC2=CC=C(C=C2)S(=O)(=O)NC2=NC3=CC=CC=C3S2)=C1O;   VLX-1005;   VLX1005
 xref: CAS:1532593-30-8;   PDBeChem:ZR5;   PMID:25506969;   PMID:28609824;   PMID:28775075;   PMID:32853794;   PMID:33277254;   PMID:33463501;   PMID:34128835;   PMID:34507163;   PMID:35197320;   PMID:37345522;   PMID:37506345

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                ML355 0
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