Compound Detail
CHEMBL4088085
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Basic Information
| ChEMBL ID | CHEMBL4088085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJZTVUDSFUXZET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
3.74
ALogP
9
HBA
2
HBD
107.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255163 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine | IC50 | = | 60.0 | nM | 7.22 | Inhibition of porcupine (unknown origin) | 28671458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28671458 | 10.1021/acs.jmedchem.7b00662 | Protein-serine O-palmitoleoyltransferase porcupine | 1 |
Data from ChEMBL 36 via Core Engine