Compound Detail
CHEMBL1915272
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CC(=O)C[C@]1(O)c2ccc(Br)cc2-[n+]2ccc3c([nH]c4ccccc43)c21.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL1915272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQFMMZYNDTWYKS-BOXHHOBZSA-N |
| Parent Compound | CHEMBL1963304 |
| Active Moiety | CHEMBL1963304 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
3.89
ALogP
2
HBA
2
HBD
57.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.24 | 6.0925 | 574.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 574.0 | nM | 6.24 | Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium f... | 21696970 |
| Plasmodium falciparum | IC50 | = | 765.0 | nM | 6.12 | Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium f... | 21696970 |
| Plasmodium falciparum | IC50 | = | 805.0 | nM | 6.09 | Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium f... | 21696970 |
| Plasmodium falciparum | IC50 | = | 1189.0 | nM | 5.92 | Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium f... | 21696970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21696970 | 10.1016/j.bmc.2011.05.046 | Plasmodium falciparum | 4 |
Data from ChEMBL 36 via Core Engine