Compound Detail
CHEMBL202197
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Basic Information
| ChEMBL ID | CHEMBL202197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFFRDFVDIMGZEB-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
3.60
ALogP
6
HBA
2
HBD
115.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase YopH CHEMBL4404 | IC50 | 5.92 | 5.92 | 1190.0 | 1 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | IC50 | 5.91 | 5.91 | 1230.0 | 1 |
| Serine/threonine-protein phosphatase PP1-gamma catalytic subunit CHEMBL4438 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.67 | 5.67 | 2160.0 | 1 |
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase YopH | IC50 | = | 1190.0 | nM | 5.92 | Inhibitory activity against YOP protein tyrosine phosphatase | 16289879 |
| Receptor-type tyrosine-protein phosphatase C | IC50 | = | 1230.0 | nM | 5.91 | Inhibitory activity against CD45 phosphatase | 16289879 |
| Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | IC50 | = | 1300.0 | nM | 5.89 | Inhibitory activity against Protein phosphatase 1 | 16289879 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 2160.0 | nM | 5.67 | Inhibitory activity against recombinant human PTP1B | 16289879 |
| M-phase inducer phosphatase 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against cdc25A phosphatase | 16289879 |
| M-phase inducer phosphatase 2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against cdc25B phosphatase | 16289879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16289879 | 10.1016/j.bmcl.2005.10.062 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 16289879 | 10.1016/j.bmcl.2005.10.062 | Tyrosine-protein phosphatase YopH | 1 |
| 16289879 | 10.1016/j.bmcl.2005.10.062 | Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | 1 |
| 16289879 | 10.1016/j.bmcl.2005.10.062 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 16289879 | 10.1016/j.bmcl.2005.10.062 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 16289879 | 10.1016/j.bmcl.2005.10.062 | M-phase inducer phosphatase 1 | 1 |
| 16289879 | 10.1016/j.bmcl.2005.10.062 | M-phase inducer phosphatase 2 | 1 |
| 16289879 | 10.1016/j.bmcl.2005.10.062 | M-phase inducer phosphatase 3 | 1 |
Data from ChEMBL 36 via Core Engine