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5-Methoxy-N-methyl-2,3-naphthalimide ID: ALA4593858
Chembl Id: CHEMBL4593858
PubChem CID: 155569648
Max Phase: Preclinical
Molecular Formula: C14H11NO3
Molecular Weight: 241.25
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: COc1cccc2cc3c(cc12)C(=O)N(C)C3=O
Standard InChI: InChI=1S/C14H11NO3/c1-15-13(16)10-6-8-4-3-5-12(18-2)9(8)7-11(10)14(15)17/h3-7H,1-2H3
Standard InChI Key: MDHIOMHVMQMKEX-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: 241.25Molecular Weight (Monoisotopic): 241.0739AlogP: 2.07#Rotatable Bonds: 1Polar Surface Area: 46.61Molecular Species: NEUTRALHBA: 3HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 1.75CX LogD: 1.75Aromatic Rings: 2Heavy Atoms: 18QED Weighted: 0.72Np Likeness Score: -0.19
References 1. Jin C, Alenazy R, Wang Y, Mowla R, Qin Y, Tan JQE, Modi ND, Gu X, Polyak SW, Venter H, Ma S.. (2019) Design, synthesis and evaluation of a series of 5-methoxy-2,3-naphthalimide derivatives as AcrB inhibitors for the reversal of bacterial resistance., 29 (7): [PMID:30755336 ] [10.1016/j.bmcl.2019.02.003 ]