| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3355304
Max Phase: Preclinical
Molecular Formula: C18H26O2
Molecular Weight: 274.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)=CCCC(C)CCOC(=O)c1ccc(C)cc1
Standard InChI: InChI=1S/C18H26O2/c1-14(2)6-5-7-15(3)12-13-20-18(19)17-10-8-16(4)9-11-17/h6,8-11,15H,5,7,12-13H2,1-4H3
Standard InChI Key: ZGMWPWWANQGENL-UHFFFAOYSA-N
Associated Targets(Human)
Vanilloid receptor 8273 Activities
Associated Targets(non-human)
Transient receptor potential cation channel subfamily A member 1 1003 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Transient receptor potential cation channel subfamily M member 8 889 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 274.40 | Molecular Weight (Monoisotopic): 274.1933 | AlogP: 4.92 | #Rotatable Bonds: 7 |
| Polar Surface Area: 26.30 | Molecular Species: | 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: 5.76 | CX LogD: 5.76 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.52 | Np Likeness Score: 0.75 |
References
| 1. Ortar G, Schiano Moriello A, Morera E, Nalli M, Di Marzo V, De Petrocellis L.. (2014) Effect of acyclic monoterpene alcohols and their derivatives on TRP channels., 24 (23): [PMID:25455494] [10.1016/j.bmcl.2014.10.012] |
Source
Source(1):