Compound Detail
CHEMBL238137
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Basic Information
| ChEMBL ID | CHEMBL238137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEBIAMGZPKOWOL-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
486.4
MW (Da)
6.14
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 6 CHEMBL3166 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Tyrosine-protein phosphatase 1 CHEMBL4452 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of PTP1B after 10 mins | 17728130 |
| Tyrosine-protein phosphatase non-receptor type 6 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of SHP-1 catalytic domain after 10 mins | 17728130 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of YOP after 10 mins | 17728130 |
| Tyrosine-protein phosphatase 1 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of yeast PTP1 after 10 mins | 17728130 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of TC-PTP after 10 mins | 17728130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17728130 | 10.1016/j.bmcl.2007.08.019 | Unchecked | 3 |
| 17728130 | 10.1016/j.bmcl.2007.08.019 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 17728130 | 10.1016/j.bmcl.2007.08.019 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 17728130 | 10.1016/j.bmcl.2007.08.019 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 17728130 | 10.1016/j.bmcl.2007.08.019 | Tyrosine-protein phosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine