Compound Detail
CHEMBL3427133
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Basic Information
| ChEMBL ID | CHEMBL3427133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVGQGZSRENFMLT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.78
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.54 | 4.54 | 28700.0 | 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 | = | 28700.0 | nM | 4.54 | Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli ... | 25938987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25938987 | 10.1016/j.ejmech.2015.04.036 | M-phase inducer phosphatase 2 | 1 |
| 25938987 | 10.1016/j.ejmech.2015.04.036 | Low molecular weight phosphotyrosine protein phosphatase | 1 |
| 25938987 | 10.1016/j.ejmech.2015.04.036 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 25938987 | 10.1016/j.ejmech.2015.04.036 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine