Compound Detail
CHEMBL72865
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CN1CCN(CCCCC(=O)OCc2cc(NC(=O)CN3CCCCC3)cc(Nc3ccnc4cc(Cl)ccc34)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL72865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMEXAAXJNVOHHE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
607.2
MW (Da)
5.52
ALogP
8
HBA
2
HBD
90.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.19 | 7.19 | 65.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 65.1 | nM | 7.19 | Inhibitory activity against chloroquine-resistant Plasmodium falciparum FcB1R | 11495593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11495593 | 10.1021/jm010842o | MRC5 | 3 |
| 11495593 | 10.1021/jm010842o | ADMET | 3 |
| 11495593 | 10.1021/jm010842o | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine