Compound Detail
CHEMBL5182897
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Basic Information
| ChEMBL ID | CHEMBL5182897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBGOFGITDNESDT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.9
MW (Da)
4.93
ALogP
4
HBA
1
HBD
54.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ceramide glucosyltransferase CHEMBL2063 | EC50 | 10.7 | 10.7 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ceramide glucosyltransferase | EC50 | = | 0.02 | nM | 10.7 | 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