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2-(((2,4-dimethylphenyl)sulfonyl)carbamoyl)isonicotinic acid ID: ALA5276266
Chembl Id: CHEMBL5276266
Max Phase: Preclinical
Molecular Formula: C15H14N2O5S
Molecular Weight: 334.35
Associated Items:
Names and Identifiers Canonical SMILES: Cc1ccc(S(=O)(=O)NC(=O)c2cc(C(=O)O)ccn2)c(C)c1
Standard InChI: InChI=1S/C15H14N2O5S/c1-9-3-4-13(10(2)7-9)23(21,22)17-14(18)12-8-11(15(19)20)5-6-16-12/h3-8H,1-2H3,(H,17,18)(H,19,20)
Standard InChI Key: PHMITKVBRVHELQ-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: 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: 334.35Molecular Weight (Monoisotopic): 334.0623AlogP: 1.52#Rotatable Bonds: 4Polar Surface Area: 113.43Molecular Species: ACIDHBA: 5HBD: 2#RO5 Violations: ┄HBA (Lipinski): 7HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 3.42CX Basic pKa: 0.16CX LogP: 2.27CX LogD: -2.02Aromatic Rings: 2Heavy Atoms: 23QED Weighted: 0.88Np Likeness Score: -1.26