| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3927610
Max Phase: Preclinical
Molecular Formula: C18H17N3OS
Molecular Weight: 323.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc2c1N(C(=O)CSc1ccc(C#N)cn1)CCC2
Standard InChI: InChI=1S/C18H17N3OS/c1-13-4-2-5-15-6-3-9-21(18(13)15)17(22)12-23-16-8-7-14(10-19)11-20-16/h2,4-5,7-8,11H,3,6,9,12H2,1H3
Standard InChI Key: JDSMLGNDGADPMV-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: 323.42 | Molecular Weight (Monoisotopic): 323.1092 | AlogP: 3.33 | #Rotatable Bonds: 3 |
| Polar Surface Area: 56.99 | 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: | CX LogP: 3.30 | CX LogD: 3.30 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.81 | Np Likeness Score: -2.17 |
References
| 1. (2015) Compounds of modulating TRPV3 function, |
Source
Source(1):