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.
Ethyl N-(8-amino-5-fluoro-1,1-dioxo-3-phenyl-3,4-dihydro-2H-1$l^6,4-benzothiazin-7-yl)carbamate ID: ALA5201977
Chembl Id: CHEMBL5201977
PubChem CID: 168292335
Max Phase: Preclinical
Molecular Formula: C17H18FN3O4S
Molecular Weight: 379.41
Associated Items:
Names and Identifiers Canonical SMILES: CCOC(=O)Nc1cc(F)c2c(c1N)S(=O)(=O)CC(c1ccccc1)N2
Standard InChI: InChI=1S/C17H18FN3O4S/c1-2-25-17(22)21-12-8-11(18)15-16(14(12)19)26(23,24)9-13(20-15)10-6-4-3-5-7-10/h3-8,13,20H,2,9,19H2,1H3,(H,21,22)
Standard InChI Key: DOXIDJDNEIJENI-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: 379.41Molecular Weight (Monoisotopic): 379.1002AlogP: 2.92#Rotatable Bonds: 3Polar Surface Area: 110.52Molecular Species: NEUTRALHBA: 6HBD: 3#RO5 Violations: ┄HBA (Lipinski): 7HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: 10.83CX Basic pKa: 0.23CX LogP: 1.58CX LogD: 1.58Aromatic Rings: 2Heavy Atoms: 26QED Weighted: 0.71Np Likeness Score: -0.87
References 1. Hernandez CC, Tarfa RA, Miguel I Limcaoco J, Liu R, Mondal P, Hill C, Keith Duncan R, Tzounopoulos T, Stephenson CRJ, O'Meara MJ, Wipf P.. (2022) Development of an automated screen for Kv7.2 potassium channels and discovery of a new agonist chemotype., 71 [PMID:35671848 ] [10.1016/j.bmcl.2022.128841 ]