Compound Detail
CHEMBL110642
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Basic Information
| ChEMBL ID | CHEMBL110642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHTDOSYUWQFCFI-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
5.92
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL2723 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Low molecular weight phosphotyrosine protein phosphatase CHEMBL4903 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.02 | 5.02 | 9500.0 | 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 | = | 400.0 | nM | 6.4 | Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli ... | 25938987 |
| M-phase inducer phosphatase 2 | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory activity against cell division cycle 25B | 11563920 |
| Low molecular weight phosphotyrosine protein phosphatase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of full length 6-His-N-terminal tagged human LMW-PTP expressed in Esc... | 25938987 |
| M-phase inducer phosphatase 2 | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain e... | 25938987 |
| Dual specificity protein phosphatase 3 | IC50 | = | 9500.0 | nM | 5.02 | Inhibitory activity against vaccinia VH1-related phosphatase (VHR) | 11563920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563920 | 10.1021/jm0100741 | Dual specificity protein phosphatase 3 | 1 |
| 11563920 | 10.1021/jm0100741 | M-phase inducer phosphatase 2 | 1 |
| 11563920 | 10.1021/jm0100741 | Unchecked | 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 | M-phase inducer phosphatase 2 | 1 |
| 25938987 | 10.1016/j.ejmech.2015.04.036 | Low molecular weight phosphotyrosine protein phosphatase | 1 |
Data from ChEMBL 36 via Core Engine