Compound Detail
CHEMBL206438
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 | CHEMBL206438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNYFZRNKJSFVOR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
4.79
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Malonyl-CoA decarboxylase, mitochondrial CHEMBL4698 | IC50 | 7.7 | 7.7 | 19.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Malonyl-CoA decarboxylase, mitochondrial | IC50 | = | 20.0 | nM | 7.7 | Inhibition of MCD | 16509570 |
| Malonyl-CoA decarboxylase, mitochondrial | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human recombinant MCD | 17482825 |
| Malonyl-CoA decarboxylase, mitochondrial | IC50 | = | 19.95 | nM | 7.7 | 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