Compound Detail
CHEMBL1828819
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CN1CCN(C2CCN(C(=O)C[C@H]3CC[C@]4(CC3)OO[C@]3(O4)C4CC5CC(C4)CC3C5)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL1828819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGUOSTRJUVOVIF-KWAUMCPHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.7
MW (Da)
3.63
ALogP
6
HBA
0
HBD
54.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.5 | nM | 9.3 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... | 21888440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21888440 | 10.1021/jm200768h | Unchecked | 1 |
| 21888440 | 10.1021/jm200768h | No relevant target | 1 |
| 21888440 | 10.1021/jm200768h | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine