Compound Detail
CHEMBL3427132
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Basic Information
| ChEMBL ID | CHEMBL3427132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWGCQBITAVIFGZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.6
MW (Da)
6.90
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Low molecular weight phosphotyrosine protein phosphatase CHEMBL4903 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.19 | 5.19 | 6500.0 | 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 | = | 600.0 | nM | 6.22 | Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli ... | 25938987 |
| Low molecular weight phosphotyrosine protein phosphatase | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of full length 6-His-N-terminal tagged human LMW-PTP expressed in Esc... | 25938987 |
| M-phase inducer phosphatase 2 | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain e... | 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