Compound Detail
CHEMBL87198
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Cc1cc(S(=O)(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)c(C)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL87198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLZPXBQKPFYPQA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
564.6
MW (Da)
4.95
ALogP
6
HBA
2
HBD
77.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.83 | 7.83 | 14.9 | 1 |
| MRC5 CHEMBL614181 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 14.9 | nM | 7.83 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1 | 12182868 |
| MRC5 | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity tests were performed on a human diploid embryonic lung cell line (M... | 12182868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182868 | 10.1016/s0960-894x(02)00475-4 | Plasmodium falciparum | 2 |
| 12182868 | 10.1016/s0960-894x(02)00475-4 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine