Compound Detail
CHEMBL3601448
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CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NC(=O)OCC[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)C2CCCC2)nn1
Basic Information
| ChEMBL ID | CHEMBL3601448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYOPDQJCVKOGHN-FHOXXYSKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
919.0
MW (Da)
7.47
ALogP
12
HBA
2
HBD
172.4
PSA (Ų)
0.06
QED
3
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4.0 | nM | 8.4 | Antimalarial activity against Plasmodium falciparum D10 assessed as inhibition o... | 25913864 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Plasmodium falciparum DPAP1 after 30 mins | 25913864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25913864 | 10.1016/j.bmc.2015.04.017 | Plasmodium falciparum | 1 |
| 25913864 | 10.1016/j.bmc.2015.04.017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine