Compound Detail
CHEMBL5268107
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Basic Information
| ChEMBL ID | CHEMBL5268107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWLKQCNRQYHRIY-CMUYLPBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.7
MW (Da)
6.44
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.14
QED
1
Ro5 Violations
22
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingolipid delta(4)-desaturase DES1 CHEMBL2021749 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingolipid delta(4)-desaturase DES1 | IC50 | = | 155.0 | nM | 6.81 | Inhibition of DES1 in human HGC-27 cell lysates | 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