Compound Detail
CHEMBL4780455
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Cc1nc(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(OC(=O)CCCCCCC(=O)Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4780455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVKIVQKPQZKOIV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
837.5
MW (Da)
13.31
ALogP
8
HBA
0
HBD
93.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.77 | 6.77 | 169.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 169.0 | nM | 6.77 | 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 | 7 |
| 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