Compound Detail
CHEMBL4645998
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Basic Information
| ChEMBL ID | CHEMBL4645998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYFCONVOQBKWQJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.8
MW (Da)
3.29
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3714531 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in H... | 32787107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787107 | 10.1021/acs.jmedchem.0c00660 | Palmitoleoyl-protein carboxylesterase NOTUM | 1 |
Data from ChEMBL 36 via Core Engine