Compound Detail
CHEMBL2431667
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O=P(O)(O)[C@@H](O)c1ccc(-c2cccc([C@H](O)c3ccc(Cl)c(Cl)c3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL2431667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYNFSOSPDJUFDE-VQTJNVASSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
439.2
MW (Da)
4.91
ALogP
3
HBA
4
HBD
98.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | Ki | 4.03 | 4.03 | 93000.0 | 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 | = | 93000.0 | nM | 4.03 | 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