Compound Detail
CHEMBL559457
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Basic Information
| ChEMBL ID | CHEMBL559457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQTRWYHOGMCUKF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
5.62
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.52 | 5.52 | 3020.0 | 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 | = | 3020.0 | nM | 5.52 | Inhibition of PTP1B | 19362837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19362837 | 10.1016/j.bmcl.2009.03.108 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine