Compound Detail
CHEMBL300241
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Basic Information
| ChEMBL ID | CHEMBL300241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGIYHMVOMZTYCV-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
1.55
ALogP
4
HBA
2
HBD
100.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | IC50 | 6.1 | 5.91 | 800.0 | 2 |
| Procathepsin L CHEMBL3837 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 13 CHEMBL2976 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase C | IC50 | = | 800.0 | nM | 6.1 | In vitro inhibitory activity against the cytosolic portion of CD45 protein-tyros... | 11356112 |
| Procathepsin L | IC50 | = | 900.0 | nM | 6.05 | Inhibitory concentration against Cathepsin L | 11356112 |
| Receptor-type tyrosine-protein phosphatase C | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory concentration against CD45 protein-tyrosine phosphatase using lck-10m... | 11356112 |
| T-cell | IC50 | = | 4400.0 | nM | 5.36 | In vitro inhibition of human T-cell proliferation | 11356112 |
| Tyrosine-protein phosphatase non-receptor type 13 | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory concentration against FAP-1 pNPP | 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 13 | 2 |
| 11356112 | 10.1021/jm000447i | Cathepsin B | 1 |
| 11356112 | 10.1021/jm000447i | Procathepsin L | 1 |
| 11356112 | 10.1021/jm000447i | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine