Compound Detail
CHEMBL1257549
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Basic Information
| ChEMBL ID | CHEMBL1257549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUYINQOANMAHTB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
4.54
ALogP
5
HBA
2
HBD
73.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.64
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Malonyl-CoA decarboxylase, mitochondrial CHEMBL4698 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Malonyl-CoA decarboxylase, mitochondrial CHEMBL1255162 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Malonyl-CoA decarboxylase, mitochondrial | IC50 | = | 0.9 | nM | 9.05 | Inhibition of human MCD | 20832306 |
| Malonyl-CoA decarboxylase, mitochondrial | EC50 | = | 230.0 | nM | 6.64 | Inhibition of MCD in mouse hepatocytes by whole cell assay | 20832306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20832306 | 10.1016/j.bmcl.2010.08.047 | Malonyl-CoA decarboxylase, mitochondrial | 2 |
Data from ChEMBL 36 via Core Engine