| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2272697
Max Phase: Preclinical
Molecular Formula: C18H18FNO
Molecular Weight: 283.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC1CN(c2ccccc2)C(=O)C1c1cccc(F)c1
Standard InChI: InChI=1S/C18H18FNO/c1-2-13-12-20(16-9-4-3-5-10-16)18(21)17(13)14-7-6-8-15(19)11-14/h3-11,13,17H,2,12H2,1H3
Standard InChI Key: ASYKKOBFAGXIAZ-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: 283.35 | Molecular Weight (Monoisotopic): 283.1372 | AlogP: 3.98 | #Rotatable Bonds: 3 |
| Polar Surface Area: 20.31 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.93 | CX LogD: 3.93 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.83 | Np Likeness Score: -0.76 |
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):