| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3733263
Max Phase: Preclinical
Molecular Formula: C9H16O
Molecular Weight: 140.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C=O)C1CCCCC1
Standard InChI: InChI=1S/C9H16O/c1-8(7-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
Standard InChI Key: UQURIQWAEZGLAC-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: 140.23 | Molecular Weight (Monoisotopic): 140.1201 | AlogP: 2.40 | #Rotatable Bonds: 2 |
| Polar Surface Area: 17.07 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.46 | CX LogD: 2.46 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.54 | Np Likeness Score: 0.99 |
References
| 1. (2013) Agent for inhibiting odor of pyrazine derivatives, |
Source
Source(1):