Compound Detail
CHEMBL2368222
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C[C@H]1[C@@H](O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3
Basic Information
| ChEMBL ID | CHEMBL2368222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQGOBHOUYKYFPD-CMDXXVQNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
268.4
MW (Da)
2.26
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.3 | 6.3 | 506.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 506.04 | nM | 6.3 | Inhibitory concentration against Plasmodium falciparum D6 (Sierra Leone) | 3279208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3279208 | 10.1021/jm00398a026 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine