Compound Detail
CHEMBL1399327
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Basic Information
| ChEMBL ID | CHEMBL1399327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRWLNRQGJSQRAF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
1.99
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3714531 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Palmitoleoyl-protein carboxylesterase NOTUM | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human recombinant Notum (81 to T451 residues) expressed in HEK293S... | 36934521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36378954 | 10.1021/acs.jmedchem.2c01102 | Bromodomain-containing protein 4 | 2 |
| 36934521 | 10.1016/j.ejmech.2023.115132 | Palmitoleoyl-protein carboxylesterase NOTUM | 1 |
Data from ChEMBL 36 via Core Engine