| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3966371
Max Phase: Preclinical
Molecular Formula: C19H19ClN2O3S
Molecular Weight: 390.89
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)c1cnc(SCC(=O)N2CCCc3cccc(C)c32)c(Cl)c1
Standard InChI: InChI=1S/C19H19ClN2O3S/c1-12-5-3-6-13-7-4-8-22(17(12)13)16(23)11-26-18-15(20)9-14(10-21-18)19(24)25-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3
Standard InChI Key: GHXGNKHZWJMXFL-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: 390.89 | Molecular Weight (Monoisotopic): 390.0805 | AlogP: 3.90 | #Rotatable Bonds: 4 |
| Polar Surface Area: 59.50 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.99 | CX LogP: 4.05 | CX LogD: 4.05 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.58 | Np Likeness Score: -1.76 |
References
| 1. (2015) Compounds of modulating TRPV3 function, |
Source
Source(1):