| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3932953
Max Phase: Preclinical
Molecular Formula: C15H21N3O2
Molecular Weight: 275.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc(C2CCNC2)cc1)N1CCOCC1
Standard InChI: InChI=1S/C15H21N3O2/c19-15(18-7-9-20-10-8-18)17-14-3-1-12(2-4-14)13-5-6-16-11-13/h1-4,13,16H,5-11H2,(H,17,19)
Standard InChI Key: OCCAXLZULXSHFT-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: 275.35 | Molecular Weight (Monoisotopic): 275.1634 | AlogP: 1.63 | #Rotatable Bonds: 2 |
| Polar Surface Area: 53.60 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.62 | CX Basic pKa: 10.96 | CX LogP: 0.84 | CX LogD: -2.23 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.86 | Np Likeness Score: -1.42 |
References
| 1. (2016) Substituted benzamides, |
Source
Source(1):