Compound Detail
CHEMBL5077442
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Basic Information
| ChEMBL ID | CHEMBL5077442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQRPNTWETHFMLS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
490.4
MW (Da)
5.14
ALogP
5
HBA
1
HBD
71.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ceramide glucosyltransferase CHEMBL2063 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ceramide glucosyltransferase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human GCS using C8-ceramide and UDP-glucose as substrate incubated... | 35188773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35188773 | 10.1021/acs.jmedchem.1c02078 | Ceramide glucosyltransferase | 1 |
| 35188773 | 10.1021/acs.jmedchem.1c02078 | No relevant target | 1 |
| 35188773 | 10.1021/acs.jmedchem.1c02078 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 35188773 | 10.1021/acs.jmedchem.1c02078 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine