Compound Detail
CHEMBL440852
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O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)cccc21
Basic Information
| ChEMBL ID | CHEMBL440852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZSLVNXGOUWUFD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.4
MW (Da)
1.49
ALogP
11
HBA
0
HBD
169.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | In vitro antimalarial activity against human malaria parasite, P falciparum (Vie... | 2033589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2033589 | 10.1021/jm00109a016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine