Compound Detail
CHEMBL1828818
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CC(C)CN1CCN(C(=O)C[C@H]2CC[C@]3(CC2)OO[C@]2(O3)C3CC4CC(C3)CC2C4)CC1
Basic Information
| ChEMBL ID | CHEMBL1828818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWDAZEGADXQVGL-ZYQYXIIGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
4.19
ALogP
5
HBA
0
HBD
51.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.1 | nM | 8.68 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... | 21888440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21888440 | 10.1021/jm200768h | Unchecked | 2 |
| 21888440 | 10.1021/jm200768h | No relevant target | 1 |
| 21888440 | 10.1021/jm200768h | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine