| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4215994
Max Phase: Preclinical
Molecular Formula: C16H22FNO
Molecular Weight: 263.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O[C@]12CCCC[C@@H]1CCC[C@H]2Nc1ccc(F)cc1
Standard InChI: InChI=1S/C16H22FNO/c17-13-7-9-14(10-8-13)18-15-6-3-5-12-4-1-2-11-16(12,15)19/h7-10,12,15,18-19H,1-6,11H2/t12-,15-,16-/m1/s1
Standard InChI Key: HVDSOPBAZRASKA-DAXOMENPSA-N
Associated Targets(Human)
Transient receptor potential cation channel subfamily A member 1 1847 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 |
|---|
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: 263.36 | Molecular Weight (Monoisotopic): 263.1685 | AlogP: 3.71 | #Rotatable Bonds: 2 |
| Polar Surface Area: 32.26 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 14.00 | CX Basic pKa: 4.40 | CX LogP: 3.46 | CX LogD: 3.46 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.85 | Np Likeness Score: 0.47 |
References
| 1. (2016) 7 (11): [10.1039/C6MD00387G] |
Source
Source(1):