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3-(Carbazole-9-sulfonyl)-thiophene-2-carboxylic acid ID: ALA363032
Chembl Id: CHEMBL363032
PubChem CID: 44393811
Max Phase: Preclinical
Molecular Formula: C17H11NO4S2
Molecular Weight: 357.41
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C(O)c1sccc1S(=O)(=O)n1c2ccccc2c2ccccc21
Standard InChI: InChI=1S/C17H11NO4S2/c19-17(20)16-15(9-10-23-16)24(21,22)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18/h1-10H,(H,19,20)
Standard InChI Key: MSZGQUMLLPVAPJ-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: 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: 357.41Molecular Weight (Monoisotopic): 357.0129AlogP: 3.79#Rotatable Bonds: 3Polar Surface Area: 76.37Molecular Species: ACIDHBA: 5HBD: 1#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 3.05CX Basic pKa: ┄CX LogP: 3.59CX LogD: 0.12Aromatic Rings: 4Heavy Atoms: 24QED Weighted: 0.61Np Likeness Score: -1.06
References 1. Lehmann F, Haile S, Axen E, Medina C, Uppenberg J, Svensson S, Lundbäck T, Rondahl L, Barf T.. (2004) Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target., 14 (17): [PMID:15357969 ] [10.1016/j.bmcl.2004.06.057 ] 2. Floresta G, Pistarà V, Amata E, Dichiara M, Marrazzo A, Prezzavento O, Rescifina A.. (2017) Adipocyte fatty acid binding protein 4 (FABP4) inhibitors. A comprehensive systematic review., 138 [PMID:28738306 ] [10.1016/j.ejmech.2017.07.022 ]