Compound Detail
CHEMBL307495
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Basic Information
| ChEMBL ID | CHEMBL307495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTWKPLOOPDPZCJ-GOSISDBHSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
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 5 meas. best 6.16
Ki 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL3858 | IC50 | 6.16 | 5.69 | 700.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 5.815 | 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 |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 250.0 | nM | 6.6 | Competitive inhibition of carnitine palmitoyltransferase using palmitoyl-CoA | 21504156 |
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 700.0 | nM | 6.16 | Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14... | 11448219 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of carnitine palmitoyltransferase in rat liver mitochondria assessed ... | 21504156 |
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 3400.0 | nM | 5.47 | Inhibitory activity against rat heart mitochondrial carnitine palmitoyltransfera... | 11448219 |
| Unchecked | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of carnitine palmitoyltransferase in rat heart mitochondria assessed ... | 21504156 |
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of [14C]palmitoyl-CoA and carnitine binding to carnitine palmitoyltra... | 12519067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21504156 | 10.1021/jm100809g | Unchecked | 3 |
| 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 |
| 21504156 | 10.1021/jm100809g | Rattus norvegicus | 1 |
| 21504156 | 10.1021/jm100809g | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine