| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3941182
Max Phase: Preclinical
Molecular Formula: C18H17F3N2OS
Molecular Weight: 366.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc2c1N(C(=O)CSc1ncccc1C(F)(F)F)CCC2
Standard InChI: InChI=1S/C18H17F3N2OS/c1-12-5-2-6-13-7-4-10-23(16(12)13)15(24)11-25-17-14(18(19,20)21)8-3-9-22-17/h2-3,5-6,8-9H,4,7,10-11H2,1H3
Standard InChI Key: GTQOVVAPAPTVRE-UHFFFAOYSA-N
Associated Targets(Human)
Transient receptor potential cation channel subfamily V member 3 542 Activities
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: 366.41 | Molecular Weight (Monoisotopic): 366.1014 | AlogP: 4.48 | #Rotatable Bonds: 3 |
| Polar Surface Area: 33.20 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.58 | CX LogP: 4.32 | CX LogD: 4.32 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.75 | Np Likeness Score: -1.77 |
References
| 1. (2015) Compounds of modulating TRPV3 function, |
Source
Source(1):