Compound Detail
CHEMBL2041120
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Cc1ccc2c(n1)C(=O)C(Br)=C(NN1CCN(NC3=C(Br)C(=O)c4nc(C)ccc4C3=O)CC1)C2=O
Basic Information
| ChEMBL ID | CHEMBL2041120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALPMTUKFWRKZTO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
616.3
MW (Da)
2.39
ALogP
10
HBA
2
HBD
124.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.41 | 5.41 | 3930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3930.0 | nM | 5.41 | Antiplasmodial activity against Plasmodium falciparum NF54 infected in human ery... | 22781704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22781704 | 10.1016/j.ejmech.2012.06.046 | Plasmodium falciparum | 5 |
Data from ChEMBL 36 via Core Engine