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N-(3-(N-acetylsulfamoyl)propyl)-N-hydroxyacetamide ID: ALA3401333
Chembl Id: CHEMBL3401333
PubChem CID: 118728403
Max Phase: Preclinical
Molecular Formula: C7H14N2O5S
Molecular Weight: 238.26
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC(=O)NS(=O)(=O)CCCN(O)C(C)=O
Standard InChI: InChI=1S/C7H14N2O5S/c1-6(10)8-15(13,14)5-3-4-9(12)7(2)11/h12H,3-5H2,1-2H3,(H,8,10)
Standard InChI Key: IRGTWOOYFUQDOC-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
Calculated Properties Molecular Weight: 238.26Molecular Weight (Monoisotopic): 238.0623AlogP: -0.92#Rotatable Bonds: 5Polar Surface Area: 103.78Molecular Species: ACIDHBA: 5HBD: 2#RO5 Violations: ┄HBA (Lipinski): 7HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 4.09CX Basic pKa: ┄CX LogP: -2.32CX LogD: -3.30Aromatic Rings: ┄Heavy Atoms: 15QED Weighted: 0.48Np Likeness Score: -0.35
References 1. Gadakh B, Pouyez J, Wouters J, Venkatesham A, Cos P, Van Aerschot A.. (2015) N-acylated sulfonamide congeners of fosmidomycin lack any inhibitory activity against DXR., 25 (7): [PMID:25726328 ] [10.1016/j.bmcl.2015.02.006 ]