Compound Detail
CHEMBL1163996
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Basic Information
| ChEMBL ID | CHEMBL1163996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTKCKBHCNPVXJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.45
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL1163121 | IC50 | 4.07 | 4.07 | 84600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 84600.0 | nM | 4.07 | Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometry | 20576575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20576575 | 10.1016/j.bmc.2010.04.096 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1 |
Data from ChEMBL 36 via Core Engine