Compound Detail
CHEMBL5982554
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Basic Information
| ChEMBL ID | CHEMBL5982554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBSOFGLNTMFLKC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
346.8
MW (Da)
3.08
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingolipid delta(4)-desaturase DES1 CHEMBL2021749 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingolipid delta(4)-desaturase DES1 | IC50 | = | 3.9 | nM | 8.41 | Des1 Activity Assays: Jurkat clone E6-1 cells were grown and then seeded at 106 ... | - |
Data from ChEMBL 36 via Core Engine