| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3678078
Max Phase: Preclinical
Molecular Formula: C17H28N2O3
Molecular Weight: 308.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCOc1cc(CCNCC(=O)N(C)C)ccc1OC
Standard InChI: InChI=1S/C17H28N2O3/c1-5-6-11-22-16-12-14(7-8-15(16)21-4)9-10-18-13-17(20)19(2)3/h7-8,12,18H,5-6,9-11,13H2,1-4H3
Standard InChI Key: ZEBKYEICOYLYGX-UHFFFAOYSA-N
Associated Targets(non-human)
Monoamine oxidase B 2209 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: 308.42 | Molecular Weight (Monoisotopic): 308.2100 | AlogP: 2.09 | #Rotatable Bonds: 10 |
| Polar Surface Area: 50.80 | Molecular Species: BASE | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.63 | CX LogP: 1.95 | CX LogD: 0.69 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.67 | Np Likeness Score: -0.79 |
References
| 1. (2015) Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators, |
Source
Source(1):