Compound Detail
CHEMBL3601450
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CC(C)(C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)OC(=O)OCC[C@@]1(CCC(=O)NCCCN2CCCC2=O)OOC2(O1)C1CC3CC(C1)CC2C3
Basic Information
| ChEMBL ID | CHEMBL3601450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQZTVTWXLZRRJE-PVCASZJXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1006.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 600.0 | nM | 6.22 | Antimalarial activity against Plasmodium falciparum W2 assessed as inhibition of... | 25913864 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Plasmodium falciparum FP2 | 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