Compound Detail
CHEMBL204287
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 | CHEMBL204287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPOKAKSJZJVCRM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.3
MW (Da)
3.62
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Malonyl-CoA decarboxylase, mitochondrial CHEMBL4698 | IC50 | 9.01 | 9.01 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Malonyl-CoA decarboxylase, mitochondrial | IC50 | = | 0.98 | nM | 9.01 | Inhibition of MCD | 16509570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509570 | 10.1021/jm050109n | Malonyl-CoA decarboxylase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine