| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1736103
Max Phase: Preclinical
Molecular Formula: C26H24N2O2
Molecular Weight: 396.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCCC1Cc1ccccc1
Standard InChI: InChI=1S/C26H24N2O2/c29-26(28-15-7-6-11-20(28)17-19-9-2-1-3-10-19)22-18-24(25-14-8-16-30-25)27-23-13-5-4-12-21(22)23/h1-5,8-10,12-14,16,18,20H,6-7,11,15,17H2
Standard InChI Key: FBBYCOPRFSLPDK-UHFFFAOYSA-N
Associated Targets(Human)
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 925 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: 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: 396.49 | Molecular Weight (Monoisotopic): 396.1838 | AlogP: 5.73 | #Rotatable Bonds: 4 |
| Polar Surface Area: 46.34 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 0.28 | CX LogP: 5.45 | CX LogD: 5.45 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.44 | Np Likeness Score: -1.33 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):