Compound Detail
CHEMBL487720
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
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+]
Basic Information
| ChEMBL ID | CHEMBL487720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLWRROYWKHUVKF-OKDJMAGBSA-M |
| Parent Compound | CHEMBL1201391 |
| Active Moiety | CHEMBL1201391 |
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
4.11
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| HES CHEMBL614662 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL402 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.43 | 4.2583 | 36900.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502414 | 10.1128/aac.01330-06 | Plasmodium falciparum | 6 |
| 1527791 | 10.1021/jm00096a015 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 2 |
| 1527791 | 10.1021/jm00096a015 | HES | 1 |
Data from ChEMBL 36 via Core Engine