Compound Detail
CHEMBL1231507
PALMITOYLAMINOCARNITINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1231507 |
| Name | PALMITOYLAMINOCARNITINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUBZDMWVMKIBIS-OAQYLSRUSA-N |
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.6
MW (Da)
3.80
ALogP
3
HBA
1
HBD
69.2
PSA (Ų)
0.27
QED
0
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.3 | 6.246 | 50.0 | 5 |
| KB CHEMBL398 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Carnitine O-palmitoyltransferase 2, mitochondrial CHEMBL3238 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL1293194 | IC50 | 5.57 | 5.57 | 2670.0 | 1 |
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL2216739 | IC50 | 4.66 | 4.66 | 21700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of FAO | 21504156 |
| KB | IC50 | = | 110.0 | nM | 6.96 | Cytotoxicity in human KB cells | 21504156 |
| Carnitine O-palmitoyltransferase 2, mitochondrial | IC50 | = | 140.0 | nM | 6.85 | Inhibition of human CPT2 | 21504156 |
| Unchecked | IC50 | = | 270.0 | nM | 6.57 | Inhibition of rat FAO | 21504156 |
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of carnitine palmitoyltransferase in 18 hr fasted rat hepatocytes | 21504156 |
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of carnitine palmitoyltransferase in 18 hr fasted rat liver homogenat... | 21504156 |
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 2670.0 | nM | 5.57 | Inhibition of human CPT1A | 21504156 |
| Unchecked | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of human FAO | 21504156 |
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 21700.0 | nM | 4.66 | Inhibition of human CPT1B | 21504156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21504156 | 10.1021/jm100809g | Unchecked | 5 |
| 21504156 | 10.1021/jm100809g | KB | 1 |
| 21504156 | 10.1021/jm100809g | Carnitine O-palmitoyltransferase 2, mitochondrial | 1 |
| 21504156 | 10.1021/jm100809g | Carnitine O-palmitoyltransferase 1, muscle isoform | 1 |
| 21504156 | 10.1021/jm100809g | Carnitine O-palmitoyltransferase 1, liver isoform | 1 |
Data from ChEMBL 36 via Core Engine