Compound Detail
CHEMBL505649
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O=C(CN1CCCCC1)Nc1cc(COC(=O)NCCN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
Basic Information
| ChEMBL ID | CHEMBL505649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUNHHSFKVYNMEQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
579.1
MW (Da)
5.77
ALogP
7
HBA
3
HBD
98.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.01 | 7.89 | 9.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9.7 | nM | 8.01 | Antimalarial activity after 24 hrs against chloroquine-resistant Plasmodium falc... | 18226428 |
| Plasmodium falciparum | IC50 | = | 11.2 | nM | 7.95 | Antimalarial activity after 24 hrs against chloroquine-resistant Plasmodium falc... | 18226428 |
| Plasmodium falciparum | IC50 | = | 19.4 | nM | 7.71 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum THAI/T... | 18226428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18226428 | 10.1016/j.ejmech.2007.11.003 | Plasmodium falciparum | 3 |
| 18226428 | 10.1016/j.ejmech.2007.11.003 | Plasmodium berghei | 2 |
| 18226428 | 10.1016/j.ejmech.2007.11.003 | Unchecked | 1 |
| 18226428 | 10.1016/j.ejmech.2007.11.003 | MRC5 | 1 |
| 18226428 | 10.1016/j.ejmech.2007.11.003 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine