| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3949998
Max Phase: Preclinical
Molecular Formula: C18H20N2O
Molecular Weight: 280.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Cc1ccccc1)Nc1ccc(C2CCNC2)cc1
Standard InChI: InChI=1S/C18H20N2O/c21-18(12-14-4-2-1-3-5-14)20-17-8-6-15(7-9-17)16-10-11-19-13-16/h1-9,16,19H,10-13H2,(H,20,21)
Standard InChI Key: RZQDZWVRMZKIOE-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: 280.37 | Molecular Weight (Monoisotopic): 280.1576 | AlogP: 2.94 | #Rotatable Bonds: 4 |
| Polar Surface Area: 41.13 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.96 | CX LogP: 2.78 | CX LogD: -0.29 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.90 | Np Likeness Score: -0.93 |
References
| 1. (2016) Substituted benzamides, |
Source
Source(1):