Compound Detail
CHEMBL128052
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Basic Information
| ChEMBL ID | CHEMBL128052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGJOCGGZCJCKRX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
4.43
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.48 | 5.48 | 3280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 3280.0 | nM | 5.48 | Inhibitory activity against IgE antibody production in PMBC cells | 9046329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046329 | 10.1021/jm9605041 | ADMET | 5 |
| 33360559 | 10.1016/j.ejmech.2020.113106 | Bile acid receptor | 1 |
Data from ChEMBL 36 via Core Engine