Compound Detail
CHEMBL2431696
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Basic Information
| ChEMBL ID | CHEMBL2431696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSMBBKSDENBGMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.2
MW (Da)
3.89
ALogP
1
HBA
2
HBD
57.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 3.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | Ki | 3.69 | 3.69 | 205000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 5 | Ki | = | 205000.0 | nM | 3.69 | Inhibition of human STEP using pNPP as substrate after 5 mins by spectrophotomet... | 24083656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24083656 | 10.1021/jm401037h | Tyrosine-protein phosphatase non-receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine