Compound Detail
CHEMBL377710
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Basic Information
| ChEMBL ID | CHEMBL377710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQXPEJBBTNQSQJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
5.05
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Malonyl-CoA decarboxylase, mitochondrial CHEMBL4698 | IC50 | 7.43 | 5.93 | 37.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Malonyl-CoA decarboxylase, mitochondrial | IC50 | = | 37.15 | nM | 7.43 | Inhibition of human recombinant MCD | 17482825 |
| Malonyl-CoA decarboxylase, mitochondrial | IC50 | = | 37000.0 | nM | 4.43 | Inhibitory activity against recombinant human MCD MBP fusion protein | 16257202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17482825 | 10.1016/j.bmc.2007.04.025 | Malonyl-CoA decarboxylase, mitochondrial | 2 |
| 16257202 | 10.1016/j.bmcl.2005.10.020 | Malonyl-CoA decarboxylase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine