Compound Detail
CHEMBL5561881
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COc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccccc3OC(F)(F)F)c3c2cnn3CCCCCNC(=O)CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL5561881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMPGCYGMGHANIC-YTTGMZPUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
849.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine palmitoyltransferase 2 CHEMBL1250344 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| Serine palmitoyltransferase 3 CHEMBL6066332 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine palmitoyltransferase 2 | IC50 | = | 0.24 | nM | 9.62 | Inhibition of SPTLC2 (unknown origin) | 38621327 |
| Serine palmitoyltransferase 3 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of SPTLC3 (unknown origin) | 38621327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38621327 | 10.1016/j.ejmech.2024.116408 | Serine palmitoyltransferase 2 | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Serine palmitoyltransferase 3 | 1 |
Data from ChEMBL 36 via Core Engine