Compound Detail
CHEMBL381564
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Basic Information
| ChEMBL ID | CHEMBL381564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVJPTTYECVNKHY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
456.4
MW (Da)
4.84
ALogP
3
HBA
1
HBD
53.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Malonyl-CoA decarboxylase, mitochondrial CHEMBL4698 | IC50 | 7.51 | 7.51 | 30.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Malonyl-CoA decarboxylase, mitochondrial | IC50 | = | 31.0 | nM | 7.51 | Inhibition of MCD | 16509570 |
| Malonyl-CoA decarboxylase, mitochondrial | IC50 | = | 31.0 | nM | 7.51 | Inhibition of human recombinant MCD | 17482825 |
| Malonyl-CoA decarboxylase, mitochondrial | IC50 | = | 30.9 | nM | 7.51 | Inhibition of human recombinant MCD | 17482825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17482825 | 10.1016/j.bmc.2007.04.025 | Malonyl-CoA decarboxylase, mitochondrial | 2 |
| 16509570 | 10.1021/jm050109n | Malonyl-CoA decarboxylase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine