| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3972313
Max Phase: Preclinical
Molecular Formula: C19H22N2O2
Molecular Weight: 310.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCc1ccc(C(=O)Nc2ccc(C3CCNC3)cc2)cc1
Standard InChI: InChI=1S/C19H22N2O2/c1-23-13-14-2-4-16(5-3-14)19(22)21-18-8-6-15(7-9-18)17-10-11-20-12-17/h2-9,17,20H,10-13H2,1H3,(H,21,22)
Standard InChI Key: KMAXTOYOPUPHOG-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 |
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Properties
| Molecular Weight: 310.40 | Molecular Weight (Monoisotopic): 310.1681 | AlogP: 3.16 | #Rotatable Bonds: 5 |
| Polar Surface Area: 50.36 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.96 | CX LogP: 2.68 | CX LogD: -0.39 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.89 | Np Likeness Score: -0.80 |
References
| 1. (2016) Substituted benzamides, |
Source
Source(1):