Compound Detail
CHEMBL128936
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Basic Information
| ChEMBL ID | CHEMBL128936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGKPEWFTXRJBNB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
3.38
ALogP
6
HBA
2
HBD
127.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase C | IC50 | = | 4100.0 | nM | 5.39 | Concentration required for 50% Inhibition of activity against Yersinia Protein-t... | 12190316 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 53000.0 | nM | 4.28 | Concentration required for 50% Inhibition of activity against Protein Tyrosine P... | 12190316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12190316 | 10.1021/jm020093q | Receptor-type tyrosine-protein phosphatase C | 1 |
| 12190316 | 10.1021/jm020093q | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 12190316 | 10.1021/jm020093q | Receptor-type tyrosine-protein phosphatase F | 1 |
Data from ChEMBL 36 via Core Engine