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N-(4-chlorophenyl)-2-(2-(cyclopropanesulfonamido)thiazol-4-yl)acetamide ID: ALA5270880
Chembl Id: CHEMBL5270880
Max Phase: Preclinical
Molecular Formula: C14H14ClN3O3S2
Molecular Weight: 371.87
Associated Items:
Names and Identifiers Canonical SMILES: O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(Cl)cc1
Standard InChI: InChI=1S/C14H14ClN3O3S2/c15-9-1-3-10(4-2-9)16-13(19)7-11-8-22-14(17-11)18-23(20,21)12-5-6-12/h1-4,8,12H,5-7H2,(H,16,19)(H,17,18)
Standard InChI Key: HWRUZZBDAGYGFX-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: 371.87Molecular Weight (Monoisotopic): 371.0165AlogP: 2.88#Rotatable Bonds: 6Polar Surface Area: 88.16Molecular Species: ACIDHBA: 5HBD: 2#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 6.48CX Basic pKa: 0.04CX LogP: 2.52CX LogD: 1.84Aromatic Rings: 2Heavy Atoms: 23QED Weighted: 0.82Np Likeness Score: -2.54
References 1. Novak A, Laughton D, Lane R, Blackham E, Thomas J, Chatzopoulou E, Wrigglesworth J, Quddus A, Ahmed S, Cousin D, Duffy L, Dubois N, Unitt J, Orban K, Browne E, Ward M, Mycock D, Ieva M, Bland N, George P, Bourne T, Asnagli H, Birch L, Jones G.. (2022) Discovery and Optimization of Potent and Orally Available CTP Synthetase Inhibitors for Use in Treatment of Diseases Driven by Aberrant Immune Cell Proliferation., 65 (24.0): [PMID:36449304 ] [10.1021/acs.jmedchem.2c01446 ]