Compound Detail
CHEMBL321914
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Basic Information
| ChEMBL ID | CHEMBL321914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHNCWQSEFKFQIZ-VHUWHVEYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.93
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 5.85 | 5.5225 | 1400.0 | 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 | = | 1400.0 | nM | 5.85 | Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition ... | 2296019 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 1584.89 | nM | 5.8 | Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition ... | 2296019 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 5800.0 | nM | 5.24 | Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (... | 2296019 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 6309.57 | nM | 5.2 | 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 | 4 |
| 2296019 | 10.1021/jm00163a005 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine