| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3733151
Max Phase: Preclinical
Molecular Formula: C14H22O
Molecular Weight: 206.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC12CCC(C3(CCCC3)C1=O)C2(C)C
Standard InChI: InChI=1S/C14H22O/c1-12(2)10-6-9-13(12,3)11(15)14(10)7-4-5-8-14/h10H,4-9H2,1-3H3
Standard InChI Key: ZURABCSOVBIFTR-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: 206.33 | Molecular Weight (Monoisotopic): 206.1671 | AlogP: 3.57 | #Rotatable Bonds: 0 |
| Polar Surface Area: 17.07 | Molecular Species: | 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: 4.08 | CX LogD: 4.08 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.59 | Np Likeness Score: 1.72 |
References
| 1. (2013) Agent for inhibiting odor of pyrazine derivatives, |
Source
Source(1):