Compound Detail
CHEMBL3559498
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3559498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTANFHVWOWCBLM-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
1.29
ALogP
4
HBA
1
HBD
78.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL3858 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL3216 | IC50 | 4.1 | 4.1 | 80100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of [14C]palmitoyl-CoA and carnitine binding to carnitine palmitoyltra... | 12519067 |
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 80100.0 | nM | 4.1 | In vitro inhibition of [14C]palmitoyl-CoA and carnitine binding to carnitine pal... | 12519067 |
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 |
Data from ChEMBL 36 via Core Engine