Compound Detail
CHEMBL3775413
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Basic Information
| ChEMBL ID | CHEMBL3775413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFQQWZICYFNHKC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
274.8
MW (Da)
2.83
ALogP
5
HBA
1
HBD
63.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3714531 | EC50 | 6.36 | 6.36 | 435.0 | 1 |
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3758064 | EC50 | 5.84 | 5.84 | 1444.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM | EC50 | = | 435.0 | nM | 6.36 | Inhibition of human notum pectinacetylesterase expressed in 293F cells after 30 ... | 26897593 |
| Palmitoleoyl-protein carboxylesterase NOTUM | EC50 | = | 1444.0 | nM | 5.84 | Inhibition of mouse notum pectinacetylesterase expressed in 293F cells after 30 ... | 26897593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26897593 | 10.1016/j.bmcl.2016.02.021 | Palmitoleoyl-protein carboxylesterase NOTUM | 2 |
Data from ChEMBL 36 via Core Engine