| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2333260
Max Phase: Preclinical
Molecular Formula: C16H25ClN2O3SSi2
Molecular Weight: 417.08
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[Si](C)(C)C([Si](C)(C)C)S(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2)o1
Standard InChI: InChI=1S/C16H25ClN2O3SSi2/c1-24(2,3)16(25(4,5)6)23(20,21)11-14-18-19-15(22-14)12-7-9-13(17)10-8-12/h7-10,16H,11H2,1-6H3
Standard InChI Key: HHVRVVPWTNDNJM-UHFFFAOYSA-N
Associated Targets(non-human)
RBL-2H3 1162 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: 417.08 | Molecular Weight (Monoisotopic): 416.0813 | AlogP: | #Rotatable Bonds: |
| Polar Surface Area: | Molecular Species: | HBA: | HBD: |
| #RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
| Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
References
| 1. Guda DR, Park SJ, Lee MW, Kim TJ, Lee ME.. (2013) Syntheses and anti-allergic activity of 2-((bis(trimethylsilyl)methylthio/methylsulfonyl)methyl)-5-aryl-1,3,4-oxadiazoles., 62 [PMID:23353735] [10.1016/j.ejmech.2012.12.035] |
Source
Source(1):