Compound Detail
CHEMBL4796694
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Basic Information
| ChEMBL ID | CHEMBL4796694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKHGGXFIVHICQX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
2.33
ALogP
3
HBA
1
HBD
58.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3714531 | IC50 | 10.29 | 9.005 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM | IC50 | = | 0.051 | nM | 10.29 | Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S ... | 33124429 |
| Palmitoleoyl-protein carboxylesterase NOTUM | IC50 | = | 19.1 | nM | 7.72 | Biochemical Notum Enzymatic Activity Assay: An Echo liquid handler was used to a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33124429 | 10.1021/acs.jmedchem.0c01391 | Palmitoleoyl-protein carboxylesterase NOTUM | 1 |
Data from ChEMBL 36 via Core Engine