Compound Detail
CHEMBL186337
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Basic Information
| ChEMBL ID | CHEMBL186337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTVRHCPRVOWGNG-GQCTYLIASA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.21
ALogP
8
HBA
3
HBD
145.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL3336 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.68 | 5.24 | 2100.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | Ki | 4.52 | 4.52 | 30000.0 | 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 | = | 2100.0 | nM | 5.68 | Binding affinity for mouse protein-tyrosine phosphatase 1B (PTP1B) expressed in ... | 15482920 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 2100.0 | nM | 5.68 | Inhibition of PTP1B | 20000419 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 15848.93 | nM | 4.8 | Inhibition of PTP1B | 19385614 |
| Tyrosine-protein phosphatase non-receptor type 2 | Ki | = | 30000.0 | nM | 4.52 | Binding affinity for T-cell Protein tyrosine phosphatase (TCPTP) | 15482920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15482920 | 10.1016/j.bmcl.2004.08.063 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 15482920 | 10.1016/j.bmcl.2004.08.063 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 19385614 | 10.1021/jm801444x | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 20000419 | 10.1021/jm901090b | Unchecked | 1 |
| 20000419 | 10.1021/jm901090b | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 20000419 | 10.1021/jm901090b | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 32871344 | 10.1016/j.ejmech.2020.112742 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 32871344 | 10.1016/j.ejmech.2020.112742 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine