| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3728760
Max Phase: Preclinical
Molecular Formula: C16H28O
Molecular Weight: 236.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CCCC2(C)C1CCC1(C)OCCC12
Standard InChI: InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3
Standard InChI Key: YPZUZOLGGMJZJO-UHFFFAOYSA-N
Associated Targets(Human)
Olfactory receptor 5K1 56 Activities
Molecule Features
| Natural Product: Yes | 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: 236.40 | Molecular Weight (Monoisotopic): 236.2140 | AlogP: 4.41 | #Rotatable Bonds: 0 |
| Polar Surface Area: 9.23 | 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: 3.98 | CX LogD: 3.98 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.61 | Np Likeness Score: 2.98 |
References
| 1. (2013) Agent for inhibiting odor of pyrazine derivatives, |
Source
Source(1):