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O-Phenoxycarbonyl-N-(4-carboxybutyloxycarbonyl)hydroxylamine ID: ALA4594060
Chembl Id: CHEMBL4594060
PubChem CID: 155569681
Max Phase: Preclinical
Molecular Formula: C13H15NO7
Molecular Weight: 297.26
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: O=C(O)CCCCOC(=O)NOC(=O)Oc1ccccc1
Standard InChI: InChI=1S/C13H15NO7/c15-11(16)8-4-5-9-19-12(17)14-21-13(18)20-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,17)(H,15,16)
Standard InChI Key: ZFRZNNBNROQCAB-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 297.26Molecular Weight (Monoisotopic): 297.0849AlogP: 2.10#Rotatable Bonds: 6Polar Surface Area: 111.16Molecular Species: ACIDHBA: 6HBD: 2#RO5 Violations: ┄HBA (Lipinski): 8HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 3.97CX Basic pKa: ┄CX LogP: 2.45CX LogD: -1.51Aromatic Rings: 1Heavy Atoms: 21QED Weighted: 0.36Np Likeness Score: -0.12
References 1. Malico AA, Dave K, Adediran SA, Pratt RF.. (2019) Specificity of extended O-aryloxycarbonyl hydroxamates as inhibitors of a class C β-lactamase., 27 (7): [PMID:30792103 ] [10.1016/j.bmc.2019.02.023 ]