| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3984832
Max Phase: Preclinical
Molecular Formula: C17H17ClN2O2S
Molecular Weight: 348.86
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cccc2c1N(C(=O)CSc1ncccc1Cl)CCC2
Standard InChI: InChI=1S/C17H17ClN2O2S/c1-22-14-8-2-5-12-6-4-10-20(16(12)14)15(21)11-23-17-13(18)7-3-9-19-17/h2-3,5,7-9H,4,6,10-11H2,1H3
Standard InChI Key: RCQANPHBEVONMT-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: 348.86 | Molecular Weight (Monoisotopic): 348.0699 | AlogP: 3.82 | #Rotatable Bonds: 4 |
| Polar Surface Area: 42.43 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.81 | CX LogP: 3.37 | CX LogD: 3.37 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.79 | Np Likeness Score: -1.69 |
References
| 1. (2015) Compounds of modulating TRPV3 function, |
Source
Source(1):