Compound Detail
CHEMBL4754983
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O=C(CCCCCCC(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)OC1=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O
Basic Information
| ChEMBL ID | CHEMBL4754983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMBMPURJYMLEEX-DUYHBEBVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
794.6
MW (Da)
12.19
ALogP
7
HBA
0
HBD
96.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.6 | nM | 9.22 | Antimalarial activity against artemisinin-sensitive Plasmodium falciparum F32-TE... | 33636304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33636304 | 10.1016/j.bmcl.2021.127884 | Plasmodium falciparum | 5 |
| 33636304 | 10.1016/j.bmcl.2021.127884 | Vero | 1 |
| 33636304 | 10.1016/j.bmcl.2021.127884 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine