Compound Detail
CHEMBL3759117
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Basic Information
| ChEMBL ID | CHEMBL3759117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIJRYLJXEJGCKT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
3.45
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3758064 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3714531 | EC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM | EC50 | = | 18.0 | nM | 7.75 | Inhibition of mouse notum pectinacetylesterase expressed in 293F cells by TCF/LE... | 26821819 |
| Palmitoleoyl-protein carboxylesterase NOTUM | EC50 | = | 35.0 | nM | 7.46 | Inhibition of human notum pectinacetylesterase expressed in 293F cells by TCF/LE... | 26821819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26821819 | 10.1016/j.bmcl.2016.01.038 | Palmitoleoyl-protein carboxylesterase NOTUM | 2 |
Data from ChEMBL 36 via Core Engine