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.
3-Sulfo-N-(4-fluorobenzyl)-1,8-naphthalimide, Potassium Salt ID: ALA3110188
Chembl Id: CHEMBL3110188
PubChem CID: 71481253
Max Phase: Preclinical
Molecular Formula: C19H11FKNO5S
Molecular Weight: 385.37
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C1c2cccc3cc(S(=O)(=O)[O-])cc(c23)C(=O)N1Cc1ccc(F)cc1.[K+]
Standard InChI: InChI=1S/C19H12FNO5S.K/c20-13-6-4-11(5-7-13)10-21-18(22)15-3-1-2-12-8-14(27(24,25)26)9-16(17(12)15)19(21)23;/h1-9H,10H2,(H,24,25,26);/q;+1/p-1
Standard InChI Key: PEJWOABPFDBKRQ-UHFFFAOYSA-M
Associated Targets(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: 385.37Molecular Weight (Monoisotopic): 385.0420AlogP: 3.02#Rotatable Bonds: 3Polar Surface Area: 91.75Molecular Species: ACIDHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: -2.12CX Basic pKa: ┄CX LogP: 2.95CX LogD: 0.58Aromatic Rings: 3Heavy Atoms: 27QED Weighted: 0.55Np Likeness Score: -1.07
References 1. MacGregor KA, Robertson MJ, Young KA, von Kleist L, Stahlschmidt W, Whiting A, Chau N, Robinson PJ, Haucke V, McCluskey A.. (2014) Development of 1,8-naphthalimides as clathrin inhibitors., 57 (1): [PMID:24299503 ] [10.1021/jm4015263 ]