| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3959457
Max Phase: Preclinical
Molecular Formula: C18H21N3O
Molecular Weight: 295.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NCc1ccccc1)Nc1ccc(C2CCNC2)cc1
Standard InChI: InChI=1S/C18H21N3O/c22-18(20-12-14-4-2-1-3-5-14)21-17-8-6-15(7-9-17)16-10-11-19-13-16/h1-9,16,19H,10-13H2,(H2,20,21,22)
Standard InChI Key: WGWIXBVIMOHDAY-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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 295.39 | Molecular Weight (Monoisotopic): 295.1685 | AlogP: 3.09 | #Rotatable Bonds: 4 |
| Polar Surface Area: 53.16 | Molecular Species: BASE | HBA: 2 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.79 | CX Basic pKa: 10.96 | CX LogP: 2.56 | CX LogD: -0.51 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.81 | Np Likeness Score: -1.13 |
References
| 1. (2016) Substituted benzamides, |
Source
Source(1):