Compound Detail
CHEMBL5287541
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CCCCCCCC[C@H]1CCC2C3CC[C@H]4C[C@]5(CC[C@]4(C)C3CC[C@@]21C)OO[C@]1(CC[C@@H]2CCC3C4CC[C@H](CCCCCCCC)[C@@]4(C)CCC3[C@@]2(C)C1)OO5
Basic Information
| ChEMBL ID | CHEMBL5287541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYRSSFIZRGJFFG-PBMQRZRCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
805.3
MW (Da)
16.11
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 155.0 | nM | 6.81 | Antimalarial activity against Plasmodium falciparum D6 | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine