Compound Detail
CHEMBL289040
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[N-]=[N+]=Nc1ccc2c(Nc3ccc(C(N)=O)cc3)c3ccc(N=[N+]=[N-])cc3nc2c1
Basic Information
| ChEMBL ID | CHEMBL289040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVLOHKXDQFEPSZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
6.11
ALogP
5
HBA
2
HBD
165.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 60.0 | nM | 7.22 | Inhibitory concentration IC50 against Plasmodium falciparum K1 by [3H]hypoxanthi... | 8182707 |
| Jurkat | IC50 | = | 1500.0 | nM | 5.82 | Concentration required to reduce growth of human jurkat leukemia cells to 50% of... | 8182707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8182707 | 10.1021/jm00036a014 | Jurkat | 2 |
| 8182707 | 10.1021/jm00036a014 | Plasmodium falciparum | 1 |
| 8182707 | 10.1021/jm00036a014 | DNA topoisomerase II | 1 |
| 8182707 | 10.1021/jm00036a014 | DNA topoisomerase 2 | 1 |
Data from ChEMBL 36 via Core Engine