Compound Detail
CHEMBL439783
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Basic Information
| ChEMBL ID | CHEMBL439783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUQALZZVMROPCY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
647.0
MW (Da)
4.31
ALogP
3
HBA
5
HBD
101.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 5.98 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | Antiplasmodial activity against drug-sensitive blood stage Plasmodium falciparum... | 29297684 |
| Plasmodium falciparum | IC50 | = | 1100.0 | nM | 5.96 | Antiplasmodial activity against chloroquine/cycloguanil/pyrimethamine-resistant ... | 29297684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29297684 | 10.1021/acs.jnatprod.7b00876 | Plasmodium falciparum | 6 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | HepG2 | 2 |
| - | 10.1016/S0960-894X(96)00622-1 | Staphylococcus aureus | 1 |
| - | 10.1016/S0960-894X(96)00622-1 | Listeria monocytogenes | 1 |
| - | 10.1016/S0960-894X(96)00622-1 | Pseudomonas aeruginosa | 1 |
| - | 10.1016/S0960-894X(96)00622-1 | Escherichia coli | 1 |
| - | 10.1016/S0960-894X(96)00622-1 | Serratia liquefaciens | 1 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | Leishmania infantum | 1 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | Leishmania amazonensis | 1 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | Trypanosoma cruzi | 1 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | Unchecked | 1 |
| 29297684 | 10.1021/acs.jnatprod.7b00876 | BMDM | 1 |
Data from ChEMBL 36 via Core Engine