Compound Detail
CHEMBL2216792
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CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)cnnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1
Basic Information
| ChEMBL ID | CHEMBL2216792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDAQPYPQMRYPHZ-LPXPRPMKSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1048.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.52 | 8.0567 | 3.0 | 3 |
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL3216 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL3858 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibition of carnitine palmitoyltransferase in rat liver mitochondria using [14... | 21504156 |
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | Inhibition of carnitine palmitoyltransferase in rat heart mitochondria pre-incub... | 21504156 |
| Unchecked | IC50 | = | 25.0 | nM | 7.6 | Inhibition of carnitine palmitoyltransferase in rat muscle using [14C]carnitine ... | 21504156 |
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 40.0 | nM | 7.4 | Inhibition of rat CPT1B expressed in intact Saccharomyces cerevisiae using [meth... | 21504156 |
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 700.0 | nM | 6.16 | Inhibition of rat CPT1A expressed in intact Saccharomyces cerevisiae using [meth... | 21504156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21504156 | 10.1021/jm100809g | Unchecked | 4 |
| 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