Compound Detail
CHEMBL4776906
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Basic Information
| ChEMBL ID | CHEMBL4776906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRBUGSHVZLCCQL-NTUHNPAUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
2.56
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Butyrophilin subfamily 3 member A1 CHEMBL4105758 | EC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Butyrophilin subfamily 3 member A1 | EC50 | = | 47.0 | nM | 7.33 | Binding affinity to BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assesse... | 33488975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33488975 | 10.1021/acsmedchemlett.0c00586 | Butyrophilin subfamily 3 member A1 | 2 |
| 33488975 | 10.1021/acsmedchemlett.0c00586 | K562 | 1 |
Data from ChEMBL 36 via Core Engine