Compound Detail
CHEMBL509691
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Basic Information
| ChEMBL ID | CHEMBL509691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNXDCRGTRYWNLB-UHFFFAOYSA-K |
| Parent Compound | CHEMBL1208236 |
| Active Moiety | CHEMBL1208236 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
290.2
MW (Da)
2.68
ALogP
4
HBA
3
HBD
104.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T-cell CHEMBL614309 | EC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-cell | EC50 | = | 6300.0 | nM | 5.2 | 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