| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3678077
Max Phase: Preclinical
Molecular Formula: C16H24F2N2O2
Molecular Weight: 314.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCOc1ccc(F)c(CCNCC(=O)N(C)C)c1F
Standard InChI: InChI=1S/C16H24F2N2O2/c1-4-5-10-22-14-7-6-13(17)12(16(14)18)8-9-19-11-15(21)20(2)3/h6-7,19H,4-5,8-11H2,1-3H3
Standard InChI Key: NUAHCZNEPOUXAO-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: 314.38 | Molecular Weight (Monoisotopic): 314.1806 | AlogP: 2.36 | #Rotatable Bonds: 9 |
| Polar Surface Area: 41.57 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.23 | CX LogP: 2.39 | CX LogD: 1.50 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.71 | Np Likeness Score: -1.36 |
References
| 1. (2015) Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators, |
Source
Source(1):