Compound Detail
CHEMBL515797
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O=C(O)COc1c(O)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCc1cccc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL515797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUWPNZYYAGAJGY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
554.4
MW (Da)
7.16
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase C | IC50 | = | 280.0 | nM | 6.55 | Inhibition of CD45 | 18579388 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of PTP1B | 18579388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579388 | 10.1016/j.bmc.2008.06.014 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 18579388 | 10.1016/j.bmc.2008.06.014 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 18579388 | 10.1016/j.bmc.2008.06.014 | Receptor-type tyrosine-protein phosphatase C | 1 |
Data from ChEMBL 36 via Core Engine