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4-methyl-N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)benzenesulfonamide ID: ALA1824675
Chembl Id: CHEMBL1824675
PubChem CID: 25013555
Max Phase: Preclinical
Molecular Formula: C24H23N3O2S2
Molecular Weight: 449.60
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCCc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cs2)ccn1
Standard InChI: InChI=1S/C24H23N3O2S2/c1-3-4-21-15-19(13-14-25-21)24-26-23(16-30-24)18-7-9-20(10-8-18)27-31(28,29)22-11-5-17(2)6-12-22/h5-16,27H,3-4H2,1-2H3
Standard InChI Key: PSIIDDOTVGEEHU-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: 449.60Molecular Weight (Monoisotopic): 449.1232AlogP: 5.93#Rotatable Bonds: 7Polar Surface Area: 71.95Molecular Species: NEUTRALHBA: 5HBD: 1#RO5 Violations: 1HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): 1CX Acidic pKa: 7.90CX Basic pKa: 3.88CX LogP: 5.75CX LogD: 5.65Aromatic Rings: 4Heavy Atoms: 31QED Weighted: 0.38Np Likeness Score: -1.86
References 1. Kamisuki S, Shirakawa T, Kugimiya A, Abu-Elheiga L, Choo HY, Yamada K, Shimogawa H, Wakil SJ, Uesugi M.. (2011) Synthesis and evaluation of diarylthiazole derivatives that inhibit activation of sterol regulatory element-binding proteins., 54 (13): [PMID:21561152 ] [10.1021/jm200304y ]