Compound Detail
CHEMBL564123
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O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cn(Cc2cccc3ccccc23)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL564123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBYGUUMFFCSFPY-ONUIUJJFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
5.51
ALogP
4
HBA
1
HBD
71.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of PTP1B by pNPP hydrolase assay | 19269068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19269068 | 10.1016/j.ejmech.2009.02.011 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine