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2-(Cyclopropanesulfonamido)-N-(2-ethoxycyclohexyl)benzamide ID: ALA5197841
Chembl Id: CHEMBL5197841
PubChem CID: 168288230
Max Phase: Preclinical
Molecular Formula: C18H26N2O4S
Molecular Weight: 366.48
Associated Items:
Names and Identifiers Canonical SMILES: CCOC1CCCCC1NC(=O)c1ccccc1NS(=O)(=O)C1CC1
Standard InChI: InChI=1S/C18H26N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-4,7-8,13,16-17,20H,2,5-6,9-12H2,1H3,(H,19,21)
Standard InChI Key: ORYGXVWOIQUNCH-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: 366.48Molecular Weight (Monoisotopic): 366.1613AlogP: 2.67#Rotatable Bonds: 7Polar Surface Area: 84.50Molecular Species: ACIDHBA: 4HBD: 2#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 5.41CX Basic pKa: ┄CX LogP: 1.91CX LogD: 1.00Aromatic Rings: 1Heavy Atoms: 25QED Weighted: 0.78Np Likeness Score: -1.08
References 1. Sharma S, Peng Q, Vadukoot AK, Aretz CD, Jensen AA, Wallick AI, Dong X, Hopkins CR.. (2022) Synthesis and Biological Characterization of a Series of 2-Sulfonamidebenzamides as Allosteric Modulators of MrgX1., 13 (5.0): [PMID:35586421 ] [10.1021/acsmedchemlett.2c00100 ]