Compound Detail
CHEMBL496406
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Basic Information
| ChEMBL ID | CHEMBL496406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWYWYAGXHPIHTH-UHFFFAOYSA-K |
| Parent Compound | CHEMBL1208100 |
| Active Moiety | CHEMBL1208100 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
300.6
MW (Da)
1.18
ALogP
5
HBA
3
HBD
113.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T-cell CHEMBL614309 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-cell | EC50 | = | 390.0 | nM | 6.41 | Immunostimulatory activity in human Vgamma9/Vdelta2 T cells assessed as TNFalpha... | 19453173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19453173 | 10.1021/jm900054u | T-cell | 1 |
Data from ChEMBL 36 via Core Engine