Compound Detail
CHEMBL1234355
MALONYL-COENZYME A Enter ChEMBL ID:
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CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL1234355 |
| Name | MALONYL-COENZYME A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTYOQGRJFJAKNA-DVVLENMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
853.6
MW (Da)
-1.86
ALogP
20
HBA
10
HBD
400.9
PSA (Ų)
0.04
QED
3
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL3216 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 1200.0 | nM | 5.92 | 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 | Carnitine O-palmitoyltransferase 1, muscle isoform | 1 |
Data from ChEMBL 36 via Core Engine