Compound Detail
CHEMBL104639
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 | CHEMBL104639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFMHEDHHCWBSIB-RTBURBONSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.90
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 5.02 | 4.805 | 9600.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 9600.0 | nM | 5.02 | Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition ... | 2296019 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 10000.0 | nM | 5.0 | Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition ... | 2296019 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 25000.0 | nM | 4.6 | Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (... | 2296019 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 25118.86 | nM | 4.6 | Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (... | 2296019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296019 | 10.1021/jm00163a005 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 5 |
Data from ChEMBL 36 via Core Engine