Compound Detail
CHEMBL5195638
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CC(C)Oc1ccc(C#N)cc1-c1cc(Cl)cc2cc(C(=O)N[C@H]3C[C@@H](O)C3)oc12
Basic Information
| ChEMBL ID | CHEMBL5195638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVANEXPBWDHVOM-CALCHBBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
4.67
ALogP
5
HBA
2
HBD
95.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ceramide glucosyltransferase CHEMBL2063 | EC50 | 10.36 | 10.36 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ceramide glucosyltransferase | EC50 | = | 0.044 | nM | 10.36 | Inhibition of GCS in human A-375 cells using C6-ceramide and UDP-glucose as subs... | 35707161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35707161 | 10.1021/acsmedchemlett.2c00182 | Ceramide glucosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine