| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3355293
Max Phase: Preclinical
Molecular Formula: C18H23ClO2
Molecular Weight: 306.83
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)=CCC/C(C)=C\COC(=O)Cc1ccc(Cl)cc1
Standard InChI: InChI=1S/C18H23ClO2/c1-14(2)5-4-6-15(3)11-12-21-18(20)13-16-7-9-17(19)10-8-16/h5,7-11H,4,6,12-13H2,1-3H3/b15-11-
Standard InChI Key: KVXLYQARERQHCG-PTNGSMBKSA-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 |
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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 |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 306.83 | Molecular Weight (Monoisotopic): 306.1387 | AlogP: 5.12 | #Rotatable Bonds: 7 |
| Polar Surface Area: 26.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.38 | CX LogD: 5.38 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.52 | Np Likeness Score: 0.89 |
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):