Compound Detail
CHEMBL309568
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Basic Information
| ChEMBL ID | CHEMBL309568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTWKPLOOPDPZCJ-SFHVURJKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.6
MW (Da)
2.04
ALogP
4
HBA
1
HBD
86.3
PSA (Ų)
0.30
QED
0
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL3858 | IC50 | 6.16 | 5.69 | 700.0 | 2 |
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL3216 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 700.0 | nM | 6.16 | Inhibition of [14C]palmitoyl-CoA and carnitine binding to carnitine palmitoyltra... | 12519067 |
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 3400.0 | nM | 5.47 | In vitro inhibition of [14C]palmitoyl-CoA and carnitine binding to carnitine pal... | 12519067 |
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14... | 11448219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12519067 | 10.1021/jm020979u | Carnitine O-palmitoyltransferase 1, liver isoform | 1 |
| 12519067 | 10.1021/jm020979u | Carnitine O-palmitoyltransferase 1, muscle isoform | 1 |
| 11448219 | 10.1021/jm010889+ | Carnitine O-palmitoyltransferase 1, liver isoform | 1 |
| 11448219 | 10.1021/jm010889+ | Carnitine O-palmitoyltransferase 1, muscle isoform | 1 |
Data from ChEMBL 36 via Core Engine