Compound Detail
CHEMBL4172453
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Basic Information
| ChEMBL ID | CHEMBL4172453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZIPLFATSZSGBL-RRHCXGJISA-L |
| Parent Compound | CHEMBL4060737 |
| Active Moiety | CHEMBL4060737 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
180.1
MW (Da)
0.49
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Butyrophilin subfamily 3 member A1 CHEMBL4105758 | EC50 | 5.4 | 5.4 | 4000.0 | 3 |
| PBMC CHEMBL613107 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Butyrophilin subfamily 3 member A1 | EC50 | = | 4000.0 | nM | 5.4 | Activation of BTN3A1 in human PBMC-derived Vgamma9Vdelta2 T cells assessed as in... | 28947936 |
| Butyrophilin subfamily 3 member A1 | EC50 | = | 4000.0 | nM | 5.4 | Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdel... | 30199251 |
| PBMC | EC50 | = | 4000.0 | nM | 5.4 | Activation of cell proliferation in human PBMC incubated for 72 hrs by Cell Quan... | 31531198 |
| Butyrophilin subfamily 3 member A1 | EC50 | = | 4000.0 | nM | 5.4 | Binding affinity to BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assesse... | 33488975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28947936 | 10.1021/acsmedchemlett.7b00245 | Butyrophilin subfamily 3 member A1 | 1 |
| 30199251 | 10.1021/acs.jmedchem.8b00655 | Butyrophilin subfamily 3 member A1 | 1 |
| 31531198 | 10.1021/acsmedchemlett.9b00153 | PBMC | 1 |
| 33488975 | 10.1021/acsmedchemlett.0c00586 | Butyrophilin subfamily 3 member A1 | 1 |
Data from ChEMBL 36 via Core Engine