Compound Detail
CHEMBL233760
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Basic Information
| ChEMBL ID | CHEMBL233760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZTSLHQKWLYYAC-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
4.77
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.23
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 6.16 | 5.5 | 700.0 | 2 |
| Low molecular weight phosphotyrosine protein phosphatase CHEMBL4903 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 4.91 | 4.91 | 12400.0 | 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 | = | 700.0 | nM | 6.16 | Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli ... | 25938987 |
| Low molecular weight phosphotyrosine protein phosphatase | IC50 | = | 8600.0 | nM | 5.07 | Inhibition of full length 6-His-N-terminal tagged human LMW-PTP expressed in Esc... | 25938987 |
| M-phase inducer phosphatase 2 | IC50 | = | 12400.0 | nM | 4.91 | Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain e... | 25938987 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 14400.0 | nM | 4.84 | Inhibition of PTP1B (unknown origin) using pNPP as substrate preincubated for 10... | 36880726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25938987 | 10.1016/j.ejmech.2015.04.036 | Tyrosine-protein phosphatase non-receptor type 1 | 7 |
| 25938987 | 10.1016/j.ejmech.2015.04.036 | Low molecular weight phosphotyrosine protein phosphatase | 5 |
| 25938987 | 10.1016/j.ejmech.2015.04.036 | M-phase inducer phosphatase 2 | 2 |
| 25938987 | 10.1016/j.ejmech.2015.04.036 | Albumin | 1 |
| 25938987 | 10.1016/j.ejmech.2015.04.036 | Lysozyme C | 1 |
| 36880726 | 10.1021/acs.jnatprod.2c00692 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine