Compound Detail
CHEMBL3354445
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O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCCc3ccc(Cl)cc3Cl)c(O)cc(O)c12
Basic Information
| ChEMBL ID | CHEMBL3354445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPUQZUKJBKEPOU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.3
MW (Da)
4.63
ALogP
8
HBA
6
HBD
143.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.19 | 6.6125 | 65.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 65.0 | nM | 7.19 | Antimalarial activity against chloroquine-sensitive/mefloquine-resistant Plasmod... | 25488841 |
| Plasmodium falciparum | IC50 | = | 71.0 | nM | 7.15 | Antimalarial activity against chloroquine-resistant/mefloquine-sensitive Plasmod... | 25488841 |
| Plasmodium falciparum | IC50 | = | 79.0 | nM | 7.1 | Antimalarial activity against chloroquine /mefloquine/pyrimethamine-resistant Pl... | 25488841 |
| Plasmodium falciparum | IC50 | = | 9670.0 | nM | 5.01 | Antigametocytocidal activity against Plasmodium falciparum NF54-pfs16-GPF early ... | 25488841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25488841 | 10.1016/j.bmcl.2014.11.039 | Plasmodium falciparum | 5 |
| 25488841 | 10.1016/j.bmcl.2014.11.039 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine