Compound Detail
CHEMBL3775182
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Basic Information
| ChEMBL ID | CHEMBL3775182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWLRMZVCNCLEFE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.85
ALogP
6
HBA
1
HBD
79.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.55
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3714531 | EC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human/mouse notum pectinacetylesterase using OPTS as substrate by ... | 26897593 |
| Palmitoleoyl-protein carboxylesterase NOTUM | EC50 | = | 280.0 | nM | 6.55 | Inhibition of human notum pectinacetylesterase expressed in 293F cells after 30 ... | 26897593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26897593 | 10.1016/j.bmcl.2016.02.021 | Unchecked | 1 |
| 26897593 | 10.1016/j.bmcl.2016.02.021 | Palmitoleoyl-protein carboxylesterase NOTUM | 1 |
Data from ChEMBL 36 via Core Engine