The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
N-Butyloxycarbonyl-3-(4-oxazol-2-yl-methylphenyl)-5-iso-butylthiophene-2-sulfonamide ID: ALA1164531
Chembl Id: CHEMBL1164531
PubChem CID: 10480123
Max Phase: Preclinical
Molecular Formula: C23H28N2O5S2
Molecular Weight: 476.62
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cc2ncco2)cc1
Standard InChI: InChI=1S/C23H28N2O5S2/c1-4-5-11-30-23(26)25-32(27,28)22-20(15-19(31-22)13-16(2)3)18-8-6-17(7-9-18)14-21-24-10-12-29-21/h6-10,12,15-16H,4-5,11,13-14H2,1-3H3,(H,25,26)
Standard InChI Key: FFDMGLZTAIFMHH-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-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: 476.62Molecular Weight (Monoisotopic): 476.1440AlogP: 5.41#Rotatable Bonds: 10Polar Surface Area: 98.50Molecular Species: ACIDHBA: 7HBD: 1#RO5 Violations: 1HBA (Lipinski): 7HBD (Lipinski): 1#RO5 Violations (Lipinski): 1CX Acidic pKa: 4.61CX Basic pKa: 1.03CX LogP: 5.83CX LogD: 4.89Aromatic Rings: 3Heavy Atoms: 32QED Weighted: 0.39Np Likeness Score: -0.50
References 1. Mahalingam AK, Wan Y, Murugaiah AM, Wallinder C, Wu X, Plouffe B, Botros M, Nyberg F, Hallberg A, Gallo-Payet N, Alterman M.. (2010) Selective angiotensin II AT(2) receptor agonists with reduced CYP 450 inhibition., 18 (12): [PMID:20493713 ] [10.1016/j.bmc.2010.03.064 ]