Compound Detail
CHEMBL2431687
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Basic Information
| ChEMBL ID | CHEMBL2431687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYGIIZNTQGMMBK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
459.2
MW (Da)
5.97
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | Ki | 4.8 | 4.8 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 5 | Ki | = | 16000.0 | nM | 4.8 | Inhibition of human STEP using pNPP as substrate after 5 mins by spectrophotomet... | 24083656 |
| Tyrosine-protein phosphatase non-receptor type 5 | Ki | = | 16000.0 | nM | 4.8 | Inhibition of STEP (unknown origin) using pNPP as substrate preincubated for 5 m... | 29116812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24083656 | 10.1021/jm401037h | Tyrosine-protein phosphatase non-receptor type 5 | 1 |
| 29116812 | 10.1021/acs.jmedchem.7b01292 | Tyrosine-protein phosphatase non-receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine