| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3974740
Max Phase: Preclinical
Molecular Formula: C25H26ClN3O
Molecular Weight: 419.96
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CCN(Cc2ccccc2)C1
Standard InChI: InChI=1S/C25H26ClN3O/c1-25(14-15-29(18-25)17-19-6-3-2-4-7-19)20-10-12-22(13-11-20)27-24(30)28-23-9-5-8-21(26)16-23/h2-13,16H,14-15,17-18H2,1H3,(H2,27,28,30)
Standard InChI Key: ZLWIWELYILHASJ-UHFFFAOYSA-N
Associated Targets(non-human)
Trace amine-associated receptor 1 899 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 419.96 | Molecular Weight (Monoisotopic): 419.1764 | AlogP: 6.15 | #Rotatable Bonds: 5 |
| Polar Surface Area: 44.37 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.46 | CX Basic pKa: 9.55 | CX LogP: 5.95 | CX LogD: 3.81 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.52 | Np Likeness Score: -1.17 |
References
| 1. (2016) Substituted benzamides, |
Source
Source(1):