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N-(4-(Aminomethyl)phenyl)-2-hydroxy-1-naphthamide Hydrochloride ID: ALA4860588
Chembl Id: CHEMBL4860588
PubChem CID: 164618195
Max Phase: Preclinical
Molecular Formula: C18H17ClN2O2
Molecular Weight: 292.34
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: Cl.NCc1ccc(NC(=O)c2c(O)ccc3ccccc23)cc1
Standard InChI: InChI=1S/C18H16N2O2.ClH/c19-11-12-5-8-14(9-6-12)20-18(22)17-15-4-2-1-3-13(15)7-10-16(17)21;/h1-10,21H,11,19H2,(H,20,22);1H
Standard InChI Key: RODFYFAQDVAGMW-UHFFFAOYSA-N
Associated Targets(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: 292.34Molecular Weight (Monoisotopic): 292.1212AlogP: 3.26#Rotatable Bonds: 3Polar Surface Area: 75.35Molecular Species: BASEHBA: 3HBD: 3#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: 7.72CX Basic pKa: 9.27CX LogP: 1.90CX LogD: 1.61Aromatic Rings: 3Heavy Atoms: 22QED Weighted: 0.69Np Likeness Score: -0.63
References 1. Aït Amiri S, Deboux C, Soualmia F, Chaaya N, Louet M, Duplus E, Betuing S, Nait Oumesmar B, Masurier N, El Amri C.. (2021) Identification of First-in-Class Inhibitors of Kallikrein-Related Peptidase 6 That Promote Oligodendrocyte Differentiation., 64 (9.0): [PMID:33949859 ] [10.1021/acs.jmedchem.0c02175 ]