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ID: ALA4581662
Max Phase: Preclinical
Molecular Formula: C23H35N3O
Molecular Weight: 369.55
Molecule Type: Unknown
Associated Items:
Representations Canonical SMILES: O=C1CCc2ccccc2N1CCCCN1CCN(C2CCCCC2)CC1
Standard InChI: InChI=1S/C23H35N3O/c27-23-13-12-20-8-4-5-11-22(20)26(23)15-7-6-14-24-16-18-25(19-17-24)21-9-2-1-3-10-21/h4-5,8,11,21H,1-3,6-7,9-10,12-19H2
Standard InChI Key: HZVGBWBVVRIGJW-UHFFFAOYSA-N
Associated Targets(Human) 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
Properties Molecular Weight: 369.55Molecular Weight (Monoisotopic): 369.2780AlogP: 3.70#Rotatable Bonds: 6Polar Surface Area: 26.79Molecular Species: BASEHBA: 3HBD: 0#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 9.02CX LogP: 3.62CX LogD: 2.00Aromatic Rings: 1Heavy Atoms: 27QED Weighted: 0.72Np Likeness Score: -1.11
References 1. Zampieri D, Fortuna S, Calabretti A, Romano M, Menegazzi R, Schepmann D, Wünsch B, Collina S, Zanon D, Mamolo MG.. (2019) Discovery of new potent dual sigma receptor/GluN2b ligands with antioxidant property as neuroprotective agents., 180 [PMID:31319263 ] [10.1016/j.ejmech.2019.07.012 ]
