The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
2-hydroxy-5-((4-(N-thiazol-2-ylsulfamoyl)phenyl)diazenyl)benzoic acid ID: ALA1270562
Chembl Id: CHEMBL1270562
Cas Number: 515-58-2
PubChem CID: 185464
Max Phase: Phase
Molecular Formula: C16H12N4O5S2
Molecular Weight: 404.43
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Synonyms: NSC-114428 | Salazosulfathiazole|515-58-2|NSC-114428|56PE10F2EA|CHEMBL1270562|2-hydroxy-5-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid|5-(p-(2-Thiazolylsulfamoyl)phenylazo)salicylic acid|Salazosulfatiazol|Salazosulfathiazolum|Salazo-Sulfathiazolum|Salazosulfathiazole [INN:DCF]|5-[p-(2-Thiazolylsulfamoyl)phenylazo]salicylic acid|UNII-56PE10F2EA|Salazothiazol|Salazothiazole|Reutan|NSC 114428|5-(4-(2-Thiazolyl)sulfamoyl)phenylazo)salicylsaeure|SALAZOSULFATHIAZOLE [INN]|DTXSID70862091 Show More⌵
Canonical SMILES: O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1O
Standard InChI: InChI=1S/C16H12N4O5S2/c21-14-6-3-11(9-13(14)15(22)23)19-18-10-1-4-12(5-2-10)27(24,25)20-16-17-7-8-26-16/h1-9,21H,(H,17,20)(H,22,23)/b19-18+
Standard InChI Key: FESOWBQMOCAPBN-VHEBQXMUSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: YesAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 404.43Molecular Weight (Monoisotopic): 404.0249AlogP: 3.76#Rotatable Bonds: 6Polar Surface Area: 141.31Molecular Species: ACIDHBA: 8HBD: 3#RO5 Violations: ┄HBA (Lipinski): 9HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 3.23CX Basic pKa: 0.65CX LogP: 4.21CX LogD: 0.20Aromatic Rings: 3Heavy Atoms: 27QED Weighted: 0.53Np Likeness Score: -1.32
References 1. Sierecki E, Sinko W, McCammon JA, Newton AC.. (2010) Discovery of small molecule inhibitors of the PH domain leucine-rich repeat protein phosphatase (PHLPP) by chemical and virtual screening., 53 (19): [PMID:20836557 ] [10.1021/jm100331d ] 2. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date,