| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3935293
Max Phase: Preclinical
Molecular Formula: C20H21F3N2OS
Molecular Weight: 394.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1cc(C(F)(F)F)cnc1SCC(=O)N1CCCc2cccc(C)c21
Standard InChI: InChI=1S/C20H21F3N2OS/c1-3-14-10-16(20(21,22)23)11-24-19(14)27-12-17(26)25-9-5-8-15-7-4-6-13(2)18(15)25/h4,6-7,10-11H,3,5,8-9,12H2,1-2H3
Standard InChI Key: IKSGEVCSNCNGJM-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: 394.46 | Molecular Weight (Monoisotopic): 394.1327 | AlogP: 5.04 | #Rotatable Bonds: 4 |
| Polar Surface Area: 33.20 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 2.71 | CX LogP: 5.28 | CX LogD: 5.28 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.68 | Np Likeness Score: -1.81 |
References
| 1. (2015) Compounds of modulating TRPV3 function, |
Source
Source(1):