Compound Detail
CHEMBL16870
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Basic Information
| ChEMBL ID | CHEMBL16870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMYJGBCPRCHZFC-NIYQRSRNSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
-0.05
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 5.33 | 4.8767 | 4700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of production of beta-galactosidase IL-2 RGA in Jurkat cells | 11881984 |
| Jurkat | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of production of IL-2 secretion in Jurkat cells | 11881984 |
| Jurkat | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of production of beta-galactosidase thymidine kinase RGA in Jurkat ce... | 11881984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881984 | 10.1021/jm010066k | Jurkat | 3 |
Data from ChEMBL 36 via Core Engine