Compound Detail
CHEMBL454811
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Basic Information
| ChEMBL ID | CHEMBL454811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTWDUAARTVHRFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
0.54
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase F CHEMBL3521 | IC50 | 4.66 | 4.66 | 21850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase F | IC50 | = | 21850.0 | nM | 4.66 | Inhibition of human recombinant LAR | 18579388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579388 | 10.1016/j.bmc.2008.06.014 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 31809044 | 10.1021/acs.jnatprod.9b00663 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 31809044 | 10.1021/acs.jnatprod.9b00663 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 31809044 | 10.1021/acs.jnatprod.9b00663 | Receptor-type tyrosine-protein phosphatase mu | 1 |
| 31809044 | 10.1021/acs.jnatprod.9b00663 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 31809044 | 10.1021/acs.jnatprod.9b00663 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 31809044 | 10.1021/acs.jnatprod.9b00663 | Tyrosine-protein phosphatase non-receptor type 7 | 1 |
| 31809044 | 10.1021/acs.jnatprod.9b00663 | Receptor-type tyrosine-protein phosphatase epsilon | 1 |
| 31809044 | 10.1021/acs.jnatprod.9b00663 | Dual specificity protein phosphatase 3 | 1 |
| 31809044 | 10.1021/acs.jnatprod.9b00663 | Dual specificity protein phosphatase 22 | 1 |
Data from ChEMBL 36 via Core Engine