| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3918683
Max Phase: Preclinical
Molecular Formula: C18H20N2OS
Molecular Weight: 312.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(SCC(=O)N2CCCc3cccc(C)c32)nc1
Standard InChI: InChI=1S/C18H20N2OS/c1-13-8-9-16(19-11-13)22-12-17(21)20-10-4-7-15-6-3-5-14(2)18(15)20/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3
Standard InChI Key: XEAZEDBBPZQLND-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: 312.44 | Molecular Weight (Monoisotopic): 312.1296 | AlogP: 3.77 | #Rotatable Bonds: 3 |
| Polar Surface Area: 33.20 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.75 | CX LogP: 3.95 | CX LogD: 3.95 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.81 | Np Likeness Score: -1.88 |
References
| 1. (2015) Compounds of modulating TRPV3 function, |
Source
Source(1):