Compound Detail
CHEMBL549372
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Basic Information
| ChEMBL ID | CHEMBL549372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEZDUVOOOSBRGR-LOACHALJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.52
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 6.45 | 6.45 | 353.7 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 6.39 | 6.39 | 403.3 | 1 |
| Receptor-type tyrosine-protein phosphatase F CHEMBL3521 | IC50 | 6.34 | 6.34 | 458.3 | 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 | = | 353.7 | nM | 6.45 | Inhibition of PTP1B | 19349096 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 403.3 | nM | 6.39 | Inhibition of TCPTP | 19349096 |
| Receptor-type tyrosine-protein phosphatase F | IC50 | = | 458.3 | nM | 6.34 | Inhibition of LAR | 19349096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19349096 | 10.1016/j.ejmech.2009.03.009 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 19349096 | 10.1016/j.ejmech.2009.03.009 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 19349096 | 10.1016/j.ejmech.2009.03.009 | Receptor-type tyrosine-protein phosphatase F | 1 |
Data from ChEMBL 36 via Core Engine