Compound Detail
CHEMBL390508
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Basic Information
| ChEMBL ID | CHEMBL390508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVGVNKPLZTZSQE-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
4.35
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.19 | 4.19 | 65000.0 | 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 | = | 65000.0 | nM | 4.19 | Inhibition of PTP1B | 17692525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17692525 | 10.1016/j.bmc.2007.07.010 | Unchecked | 1 |
| 17692525 | 10.1016/j.bmc.2007.07.010 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 17692525 | 10.1016/j.bmc.2007.07.010 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 17692525 | 10.1016/j.bmc.2007.07.010 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 17692525 | 10.1016/j.bmc.2007.07.010 | Tyrosine-protein phosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine