Compound Detail
CHEMBL3600963
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C[C@@H]1CC[C@H]2C(CN3CCCCC3[C@H](O)c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4
Basic Information
| ChEMBL ID | CHEMBL3600963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBVXLZYMRJVSHV-ZWILNQTMSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
710.6
MW (Da)
8.22
ALogP
7
HBA
1
HBD
73.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.97 | 7.8433 | 10.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 10.6 | nM | 7.97 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | 25913864 |
| Plasmodium falciparum | IC50 | = | 15.7 | nM | 7.8 | Antimalarial activity against Plasmodium falciparum F32 | 25913864 |
| Plasmodium falciparum | IC50 | = | 17.2 | nM | 7.76 | Antimalarial activity against Plasmodium falciparum FcB1 | 25913864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25913864 | 10.1016/j.bmc.2015.04.017 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine