Compound Detail
CHEMBL1565
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CC(C)c1c(C(=O)Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL1565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZBPKFICAYVHHM-JWQCQUIFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
574.6
MW (Da)
6.02
ALogP
6
HBA
5
HBD
132.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL402 | Kd | 7.56 | 7.56 | 27.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Kd | = | 27.4 | nM | 7.56 | Binding affinity to HMG-CoA reductase by isothermal calorimetry | 18540668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10601278 | 10.1074/jbc.274.52.37161 | Solute carrier organic anion transporter family member 1B1 | 2 |
| 10601278 | 10.1074/jbc.274.52.37161 | Solute carrier organic anion transporter family member 1A1 | 2 |
| 18540668 | 10.1021/jm7015057 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1 |
Data from ChEMBL 36 via Core Engine