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ID: ALA4451677
Max Phase: Preclinical
Molecular Formula: C22H32N4O2
Molecular Weight: 384.52
Molecule Type: Unknown
Associated Items:
Representations Canonical SMILES: O=c1oc(-c2ccccc2)nn1CCCCN1CCN(C2CCCCC2)CC1
Standard InChI: InChI=1S/C22H32N4O2/c27-22-26(23-21(28-22)19-9-3-1-4-10-19)14-8-7-13-24-15-17-25(18-16-24)20-11-5-2-6-12-20/h1,3-4,9-10,20H,2,5-8,11-18H2
Standard InChI Key: XSLQGRLIVLDGLY-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: 384.52Molecular Weight (Monoisotopic): 384.2525AlogP: 3.23#Rotatable Bonds: 7Polar Surface Area: 54.51Molecular Species: BASEHBA: 6HBD: 0#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 9.04CX LogP: 4.13CX LogD: 2.48Aromatic Rings: 2Heavy Atoms: 28QED Weighted: 0.69Np Likeness Score: -1.50
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 ]
