| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3730724
Max Phase: Preclinical
Molecular Formula: C15H30O2
Molecular Weight: 242.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOCOC1CCCCCCCCCCC1
Standard InChI: InChI=1S/C15H30O2/c1-2-16-14-17-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3
Standard InChI Key: VQNUNMBDOKEZHS-UHFFFAOYSA-N
Associated Targets(Human)
Olfactory receptor 5K1 56 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: 242.40 | Molecular Weight (Monoisotopic): 242.2246 | AlogP: 4.67 | #Rotatable Bonds: 4 |
| Polar Surface Area: 18.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.01 | CX LogD: 5.01 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.53 | Np Likeness Score: 0.25 |
References
| 1. (2013) Agent for inhibiting odor of pyrazine derivatives, |
Source
Source(1):