| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3355300
Max Phase: Preclinical
Molecular Formula: C17H23ClN2O
Molecular Weight: 306.84
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)=CCC/C(C)=C\CNC(=O)Nc1cccc(Cl)c1
Standard InChI: InChI=1S/C17H23ClN2O/c1-13(2)6-4-7-14(3)10-11-19-17(21)20-16-9-5-8-15(18)12-16/h5-6,8-10,12H,4,7,11H2,1-3H3,(H2,19,20,21)/b14-10-
Standard InChI Key: LNQRODZZUIGSIQ-UVTDQMKNSA-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: 306.84 | Molecular Weight (Monoisotopic): 306.1499 | AlogP: 5.15 | #Rotatable Bonds: 6 |
| Polar Surface Area: 41.13 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.22 | CX Basic pKa: | CX LogP: 4.73 | CX LogD: 4.73 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.70 | Np Likeness Score: -0.23 |
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):