Compound Detail
CHEMBL4116247
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Basic Information
| ChEMBL ID | CHEMBL4116247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBLQQLLBTFVILT-XVNBXDOJSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
258.1
MW (Da)
0.72
ALogP
3
HBA
4
HBD
115.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.58
IC50 1 meas.
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Butyrophilin subfamily 3 member A1 CHEMBL4105758 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Butyrophilin subfamily 3 member A1 | EC50 | = | 26000.0 | nM | 4.58 | Activation of BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as i... | 31268699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31268699 | 10.1021/acs.jmedchem.9b00825 | Butyrophilin subfamily 3 member A1 | 4 |
Data from ChEMBL 36 via Core Engine