Compound Detail
CHEMBL129918
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 | CHEMBL129918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXFJZKUFXHWWAJ-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
166.1
MW (Da)
0.66
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL2216739 | IC50 | 4.96 | 4.59 | 11000.0 | 2 |
| KB CHEMBL398 | IC50 | 4.59 | 4.59 | 25800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.48 | 4.48 | 33300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of CPT1B in heart mitochondria | 21504156 |
| KB | IC50 | = | 25800.0 | nM | 4.59 | Cytotoxicity in human KB cells | 21504156 |
| Unchecked | IC50 | = | 33300.0 | nM | 4.48 | Inhibition of human FAO | 21504156 |
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 60300.0 | nM | 4.22 | Inhibition of human CPT1B | 21504156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7265127 | 10.1021/jm00136a009 | Pyruvate dehydrogenase kinase | 5 |
| 21504156 | 10.1021/jm100809g | Carnitine O-palmitoyltransferase 1, muscle isoform | 3 |
| 26719209 | 10.1016/j.bmc.2015.12.021 | Amyloid-beta precursor protein | 3 |
| 21504156 | 10.1021/jm100809g | Unchecked | 2 |
| 21504156 | 10.1021/jm100809g | Carnitine O-palmitoyltransferase 2, mitochondrial | 2 |
| 7265127 | 10.1021/jm00136a009 | Rattus norvegicus | 1 |
| 12190316 | 10.1021/jm020093q | Receptor-type tyrosine-protein phosphatase C | 1 |
| 12190316 | 10.1021/jm020093q | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 12190316 | 10.1021/jm020093q | Receptor-type tyrosine-protein phosphatase F | 1 |
| 21504156 | 10.1021/jm100809g | KB | 1 |
| 21504156 | 10.1021/jm100809g | Carnitine O-palmitoyltransferase 1, liver isoform | 1 |
| 26719209 | 10.1016/j.bmc.2015.12.021 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine