Compound Detail
CHEMBL4159748
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Basic Information
| ChEMBL ID | CHEMBL4159748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPDOFDIMLWTJJV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
5.28
ALogP
6
HBA
2
HBD
85.4
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase epsilon CHEMBL4850 | IC50 | 5.38 | 5.38 | 4170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase epsilon | IC50 | = | 4170.0 | nM | 5.38 | Inhibition of recombinant human cytosolic PTPepsilon expressed in Escherichia co... | 30249496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30249496 | 10.1016/j.bmc.2018.09.022 | Receptor-type tyrosine-protein phosphatase epsilon | 1 |
Data from ChEMBL 36 via Core Engine