Compound Detail
CHEMBL3431518
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O=C(O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccc(C(F)(F)F)cc43)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3431518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZQWHCPAYJBPBS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
504.5
MW (Da)
4.80
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL1293194 | IC50 | 7.47 | 7.47 | 34.2 | 1 |
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL3858 | IC50 | 6.92 | 6.92 | 121.6 | 1 |
| Carnitine O-palmitoyltransferase 2, mitochondrial CHEMBL4037 | IC50 | 5.53 | 5.53 | 2922.8 | 1 |
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL2216739 | IC50 | 5.31 | 5.31 | 4934.0 | 1 |
| Carnitine O-palmitoyltransferase 2, mitochondrial CHEMBL3238 | IC50 | 5.24 | 5.24 | 5730.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 34.2 | nM | 7.47 | SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform | - |
| Carnitine O-palmitoyltransferase 1, liver isoform | IC50 | = | 121.6 | nM | 6.92 | SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform | - |
| Carnitine O-palmitoyltransferase 2, mitochondrial | IC50 | = | 2922.8 | nM | 5.53 | SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 2 | - |
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 4934.0 | nM | 5.31 | SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform | - |
| Carnitine O-palmitoyltransferase 2, mitochondrial | IC50 | = | 5730.8 | nM | 5.24 | SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 2 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3431459 | No relevant target | 3 |
| - | 10.6019/CHEMBL3431459 | Carnitine O-palmitoyltransferase 2, mitochondrial | 2 |
| - | 10.6019/CHEMBL3431459 | Carnitine O-palmitoyltransferase 1, liver isoform | 2 |
| - | 10.6019/CHEMBL3431459 | Carnitine O-palmitoyltransferase 1, muscle isoform | 1 |
Data from ChEMBL 36 via Core Engine