| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3955268
Max Phase: Preclinical
Molecular Formula: C17H25N3O
Molecular Weight: 287.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc(C2CCNC2)cc1)NC1CCCCC1
Standard InChI: InChI=1S/C17H25N3O/c21-17(19-15-4-2-1-3-5-15)20-16-8-6-13(7-9-16)14-10-11-18-12-14/h6-9,14-15,18H,1-5,10-12H2,(H2,19,20,21)
Standard InChI Key: PQDSRBCBHZQDJE-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: 287.41 | Molecular Weight (Monoisotopic): 287.1998 | AlogP: 3.22 | #Rotatable Bonds: 3 |
| 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: 13.80 | CX Basic pKa: 10.96 | CX LogP: 2.64 | CX LogD: -0.43 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.80 | Np Likeness Score: -0.99 |
References
| 1. (2016) Substituted benzamides, |
Source
Source(1):