Compound Detail
CHEMBL3559497
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Basic Information
| ChEMBL ID | CHEMBL3559497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMDMVIVFFXESDQ-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
0.47
ALogP
3
HBA
2
HBD
81.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL3858 | IC50 | 4.36 | 4.36 | 43600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 43600.0 | nM | 4.36 | Inhibition of [14C]palmitoyl-CoA and carnitine binding to carnitine palmitoyltra... | 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