Compound Detail
CHEMBL341806
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Basic Information
| ChEMBL ID | CHEMBL341806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKHDPHJFMYZNMI-UHFFFAOYSA-N |
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
248.2
MW (Da)
0.89
ALogP
3
HBA
4
HBD
119.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 12 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase beta CHEMBL2706 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 4.75 | 4.745 | 18000.0 | 2 |
| Receptor-type tyrosine-protein phosphatase C CHEMBL3243 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 6 CHEMBL3166 | Ki | 4.55 | 4.55 | 28000.0 | 1 |
| Receptor-type tyrosine-protein phosphatase epsilon CHEMBL4850 | Ki | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase beta | Ki | = | 3600.0 | nM | 5.44 | Inhibition of PTPRB | 19810703 |
| Tyrosine-protein phosphatase non-receptor type 2 | Ki | = | 8000.0 | nM | 5.1 | Inhibition of PTPN2 | 19810703 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 18000.0 | nM | 4.75 | Inhibitory effect against recombinant human protein-tyrosine phosphatase 1B (PTP... | 12238924 |
| Tyrosine-protein phosphatase non-receptor type 1 | Ki | = | 18197.01 | nM | 4.74 | Binding affinity to human recombinant PTP1B | 20452766 |
| Receptor-type tyrosine-protein phosphatase C | Ki | = | 20000.0 | nM | 4.7 | Inhibition of PTPRC | 19810703 |
| Tyrosine-protein phosphatase non-receptor type 6 | Ki | = | 28000.0 | nM | 4.55 | Inhibition of PTPN6 | 19810703 |
| Receptor-type tyrosine-protein phosphatase epsilon | Ki | = | 33000.0 | nM | 4.48 | Inhibition of PTPRE | 19810703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238924 | 10.1021/jm0209026 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 12238924 | 10.1021/jm0209026 | Receptor-type tyrosine-protein phosphatase alpha | 1 |
| 12238924 | 10.1021/jm0209026 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 16230012 | 10.1016/j.bmcl.2005.08.078 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase beta | 1 |
| 19810703 | 10.1021/jm9008899 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 19810703 | 10.1021/jm9008899 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase epsilon | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase alpha | 1 |
| 19810703 | 10.1021/jm9008899 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 20452766 | 10.1016/j.bmcl.2010.04.033 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine