Compound Detail
CHEMBL363687
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Basic Information
| ChEMBL ID | CHEMBL363687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDNDGFOQLUIHEF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.4
MW (Da)
3.02
ALogP
8
HBA
3
HBD
131.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 4.3 | 4.3 | 50118.7 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL3336 | Ki | 4.22 | 4.22 | 60300.0 | 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 | = | 50118.72 | nM | 4.3 | Inhibition of PTP1B | 19385614 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 60300.0 | nM | 4.22 | Binding affinity for mouse protein-tyrosine phosphatase 1B (PTP1B) expressed in ... | 15482920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15482920 | 10.1016/j.bmcl.2004.08.063 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 19385614 | 10.1021/jm801444x | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine