Compound Detail
CHEMBL5290345
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Basic Information
| ChEMBL ID | CHEMBL5290345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZVOGZATHCUFRC-KFJFTADJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
6.04
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingolipid delta(4)-desaturase DES1 CHEMBL5291552 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingolipid delta(4)-desaturase DES1 | IC50 | = | 1680.0 | nM | 5.78 | Inhibition of rat liver microsome DES1 incubated for 20 min in presence of NADH ... | 33395289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33395289 | 10.1021/acs.jmedchem.0c01664 | Sphingolipid delta(4)-desaturase DES1 | 1 |
Data from ChEMBL 36 via Core Engine