Compound Detail
CHEMBL531990
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CC[C@]1(C2OC(C3O[C@](O)(CO)[C@@H](C)C[C@H]3C)C[C@H]2C)CCC([C@@]2(C)CC[C@@]3(C[C@@H](O)[C@H](C)C([C@H](C)[C@H](OC)C(C)C(=O)O)O3)O2)O1
Basic Information
| ChEMBL ID | CHEMBL531990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAOZTHIDHYLHMS-NQQLVVIXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
670.9
MW (Da)
4.27
ALogP
10
HBA
4
HBD
153.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 2.792 | nM | 8.55 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine