| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1729796
Max Phase: Preclinical
Molecular Formula: C23H20N2O2
Molecular Weight: 356.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(CCc1ccccc1)C(=O)c1cc(-c2ccco2)nc2ccccc12
Standard InChI: InChI=1S/C23H20N2O2/c1-25(14-13-17-8-3-2-4-9-17)23(26)19-16-21(22-12-7-15-27-22)24-20-11-6-5-10-18(19)20/h2-12,15-16H,13-14H2,1H3
Standard InChI Key: BWLIALWMOKWKBY-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: 356.43 | Molecular Weight (Monoisotopic): 356.1525 | AlogP: 4.81 | #Rotatable Bonds: 5 |
| Polar Surface Area: 46.34 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.29 | CX LogP: 4.54 | CX LogD: 4.54 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.52 | Np Likeness Score: -1.48 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):