Compound Detail
CHEMBL2216769
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CCCCCCCC[C@H]1OC(=O)C(CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)cnnc43)[C@H](O)[C@@H]2OP(=O)(O)O)[C@@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2216769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJCWZYMTALPXIS-UWDQSFQDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1021.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL1293194 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL2216739 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 240.0 | nM | 6.62 | Inhibition of CPT1A | 21504156 |
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 360.0 | nM | 6.44 | Inhibition of CPT1B | 21504156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21504156 | 10.1021/jm100809g | Carnitine O-palmitoyltransferase 1, liver isoform | 1 |
| 21504156 | 10.1021/jm100809g | Carnitine O-palmitoyltransferase 1, muscle isoform | 1 |
Data from ChEMBL 36 via Core Engine