| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3678075
Max Phase: Preclinical
Molecular Formula: C15H24N2O2
Molecular Weight: 264.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCOc1cccc(CCNCC(=O)NC)c1
Standard InChI: InChI=1S/C15H24N2O2/c1-3-4-10-19-14-7-5-6-13(11-14)8-9-17-12-15(18)16-2/h5-7,11,17H,3-4,8-10,12H2,1-2H3,(H,16,18)
Standard InChI Key: KZUXGKZWVDBSGE-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: 264.37 | Molecular Weight (Monoisotopic): 264.1838 | AlogP: 1.74 | #Rotatable Bonds: 9 |
| 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: | CX Basic pKa: 8.61 | CX LogP: 1.88 | CX LogD: 0.65 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.67 | Np Likeness Score: -1.03 |
References
| 1. (2015) Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators, |
Source
Source(1):