Compound Detail
CHEMBL4077250
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Basic Information
| ChEMBL ID | CHEMBL4077250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVXSOUUKICNMRC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
4.52
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL3216 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.8333 | hr | Homo sapiens |
| T1/2 | 0.2333 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of Wistar rat heart mitochondrial CPT-1 assessed as reduction in conv... | 28277663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28277663 | 10.1021/acs.jmedchem.6b01592 | Liver | 2 |
| 28277663 | 10.1021/acs.jmedchem.6b01592 | Carnitine O-palmitoyltransferase 1, muscle isoform | 1 |
| 28277663 | 10.1021/acs.jmedchem.6b01592 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine