| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4109351
Max Phase: Preclinical
Molecular Formula: C19H22N2O2
Molecular Weight: 310.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CO[C@@H](C(=O)Nc1ccc(C2CCNC2)cc1)c1ccccc1
Standard InChI: InChI=1S/C19H22N2O2/c1-23-18(15-5-3-2-4-6-15)19(22)21-17-9-7-14(8-10-17)16-11-12-20-13-16/h2-10,16,18,20H,11-13H2,1H3,(H,21,22)/t16?,18-/m1/s1
Standard InChI Key: RMVJHVLUQNBPTJ-UHUGOGIASA-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: 310.40 | Molecular Weight (Monoisotopic): 310.1681 | AlogP: 3.09 | #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: 12.86 | CX Basic pKa: 10.96 | CX LogP: 2.62 | CX LogD: -0.36 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.89 | Np Likeness Score: -0.75 |
References
| 1. (2016) Substituted benzamides, |
Source
Source(1):