| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2272696
Max Phase: Preclinical
Molecular Formula: C19H17F4NO
Molecular Weight: 351.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC1CN(c2cccc(C(F)(F)F)c2)C(=O)C1c1cccc(F)c1
Standard InChI: InChI=1S/C19H17F4NO/c1-2-12-11-24(16-8-4-6-14(10-16)19(21,22)23)18(25)17(12)13-5-3-7-15(20)9-13/h3-10,12,17H,2,11H2,1H3
Standard InChI Key: BOYAYDCAQXMQSM-UHFFFAOYSA-N
Associated Targets(non-human)
15-cis-phytoene desaturase 62 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: 351.34 | Molecular Weight (Monoisotopic): 351.1246 | AlogP: 5.00 | #Rotatable Bonds: 3 |
| Polar Surface Area: 20.31 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.81 | CX LogD: 4.81 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.71 | Np Likeness Score: -1.06 |
References
| 1. Ohki S, Miller-Sulger R, Wakabayashi K, Pfleiderer W, Böger P.. (2003) Phytoene desaturase inhibition by O-(2-phenoxy)ethyl-N-aralkylcarbamates., 51 (10): [PMID:12720390] [10.1021/jf0262413] |
Source
Source(1):