| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3911596
Max Phase: Preclinical
Molecular Formula: C18H17N3OS
Molecular Weight: 323.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc2c1N(C(=O)CSc1ncccc1C#N)CCC2
Standard InChI: InChI=1S/C18H17N3OS/c1-13-5-2-6-14-8-4-10-21(17(13)14)16(22)12-23-18-15(11-19)7-3-9-20-18/h2-3,5-7,9H,4,8,10,12H2,1H3
Standard InChI Key: MBJJDANYAMRJKC-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: -2.04 |
References
| 1. (2015) Compounds of modulating TRPV3 function, |
Source
Source(1):