Compound Detail
CHEMBL120451
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O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)Cc2ccc3ccccc3c2)c(C(=O)c2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL120451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXRNCQHIJPEBPZ-DYTRJAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
621.6
MW (Da)
8.07
ALogP
6
HBA
2
HBD
131.6
PSA (Ų)
0.07
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 210.0 | nM | 6.68 | Inhibitory activity against Plasmodium falciparum Dd2 in erythrocytes by semiaut... | 12565929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565929 | 10.1016/s0960-894x(02)01003-x | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine