Compound Detail
CHEMBL4060737
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Basic Information
| ChEMBL ID | CHEMBL4060737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INJCOBJBYNCOEW-ZZXKWVIFSA-N |
2
Targets
12
Activities
3
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
IC50 7 meas.
EC50 4 meas. best 5.47
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Butyrophilin subfamily 3 member A1 CHEMBL4105758 | EC50 | 5.47 | 5.4233 | 3400.0 | 3 |
| Unchecked CHEMBL612545 | 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 | = | 3400.0 | nM | 5.47 | Activation of BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as i... | 31268699 |
| Butyrophilin subfamily 3 member A1 | EC50 | = | 4000.0 | nM | 5.4 | Activation of BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of in... | 28218845 |
| Butyrophilin subfamily 3 member A1 | EC50 | = | 4000.0 | nM | 5.4 | Activation of BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as i... | 31268699 |
| Unchecked | EC50 | = | 4000.0 | nM | 5.4 | Induction of Vgamma9Vdelta2 T cell proliferation in human PBMC cells incubated f... | 37934915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31268699 | 10.1021/acs.jmedchem.9b00825 | Butyrophilin subfamily 3 member A1 | 9 |
| 28218845 | 10.1021/acs.jmedchem.6b00965 | Butyrophilin subfamily 3 member A1 | 3 |
| 35178171 | 10.1021/acsmedchemlett.1c00408 | Butyrophilin subfamily 3 member A1 | 1 |
| 37934915 | 10.1021/acs.jmedchem.3c01358 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine