Compound Detail
CHEMBL5280582
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Basic Information
| ChEMBL ID | CHEMBL5280582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIDXQLJSGYSEHG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
4.09
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingolipid delta(4)-desaturase DES1 CHEMBL2021749 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingolipid delta(4)-desaturase DES1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of DES1 (unknown origin) | 33395289 |
| Sphingolipid delta(4)-desaturase DES1 | IC50 | = | 4.0 | nM | 8.4 | Des1 Activity Assays: Jurkat clone E6-1 cells were grown and then seeded at 106 ... | - |
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