Compound Detail
CHEMBL4215992
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Basic Information
| ChEMBL ID | CHEMBL4215992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIRIRXFJHRSWCL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
4.89
ALogP
4
HBA
2
HBD
94.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255164 | IC50 | 9.14 | 9.14 | 0.7 | 1 |
| Protein smoothened CHEMBL6080 | IC50 | 5.91 | 5.91 | 1223.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine | IC50 | = | 0.72 | nM | 9.14 | Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells ass... | 29499483 |
| Protein smoothened | IC50 | = | 1223.0 | nM | 5.91 | Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expr... | 29499483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29499483 | 10.1016/j.ejmech.2018.02.034 | Protein smoothened | 1 |
| 29499483 | 10.1016/j.ejmech.2018.02.034 | Protein-serine O-palmitoleoyltransferase porcupine | 1 |
Data from ChEMBL 36 via Core Engine