Compound Detail
CHEMBL49992
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Basic Information
| ChEMBL ID | CHEMBL49992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSXXRDOSSHHHJO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.80
ALogP
5
HBA
1
HBD
89.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T-cell CHEMBL614309 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | IC50 | 6.22 | 5.765 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-cell | IC50 | = | 400.0 | nM | 6.4 | In vitro inhibition of human T-cell proliferation | 11356112 |
| Receptor-type tyrosine-protein phosphatase C | IC50 | = | 600.0 | nM | 6.22 | In vitro inhibitory activity against the cytosolic portion of CD45 protein-tyros... | 11356112 |
| Receptor-type tyrosine-protein phosphatase C | IC50 | = | 4900.0 | nM | 5.31 | Inhibitory concentration against CD45 protein-tyrosine phosphatase using lck-10m... | 11356112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356112 | 10.1021/jm000447i | Receptor-type tyrosine-protein phosphatase C | 2 |
| 11356112 | 10.1021/jm000447i | T-cell | 2 |
| 11356112 | 10.1021/jm000447i | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine