| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3729076
Max Phase: Preclinical
Molecular Formula: C15H24O
Molecular Weight: 220.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H]1[C@@H]2C(=O)C[C@H]3[C@@H]2C(C)(C)CCC[C@]13C
Standard InChI: InChI=1S/C15H24O/c1-9-12-11(16)8-10-13(12)14(2,3)6-5-7-15(9,10)4/h9-10,12-13H,5-8H2,1-4H3/t9-,10+,12-,13+,15-/m1/s1
Standard InChI Key: XROGGPRBZBLTOH-KHTVDDERSA-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: 220.36 | Molecular Weight (Monoisotopic): 220.1827 | AlogP: 3.67 | #Rotatable Bonds: 0 |
| 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: 3.58 | CX LogD: 3.58 |
| Aromatic Rings: 0 | Heavy Atoms: 16 | QED Weighted: 0.61 | Np Likeness Score: 2.50 |
References
| 1. (2013) Agent for inhibiting odor of pyrazine derivatives, |
Source
Source(1):