Compound Detail
CHEMBL138257
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Basic Information
| ChEMBL ID | CHEMBL138257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSHXXRDRZCJYQW-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
365.3
MW (Da)
1.60
ALogP
6
HBA
4
HBD
150.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.6 | 5.6 | 2500.0 | 3 |
| Receptor-type tyrosine-protein phosphatase F CHEMBL3521 | Ki | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 2500.0 | nM | 5.6 | Inhibitory effect against recombinant human protein-tyrosine phosphatase 1B (PTP... | 12238924 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 2511.89 | nM | 5.6 | Binding affinity to human recombinant PTP1B | 20452766 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 2500.0 | nM | 5.6 | Inhibition of PTP1B (unknown origin) assessed as inhibition constant | 32871344 |
| Receptor-type tyrosine-protein phosphatase F | Ki | = | 50000.0 | nM | 4.3 | Inhibitory effect against protein-tyrosine phosphatase Lar, using p-nitrophenyl ... | 12238924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32871344 | 10.1016/j.ejmech.2020.112742 | Unchecked | 2 |
| 12238924 | 10.1021/jm0209026 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 12238924 | 10.1021/jm0209026 | Receptor-type tyrosine-protein phosphatase alpha | 1 |
| 12238924 | 10.1021/jm0209026 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 16230012 | 10.1016/j.bmcl.2005.08.078 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 20452766 | 10.1016/j.bmcl.2010.04.033 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 32871344 | 10.1016/j.ejmech.2020.112742 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine