Compound Detail
CHEMBL539614
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CCCCCCCNC(=N)c1ccc(N2CCN(c3ccc(C(=N)NCCCCCCC)cc3)CC2)cc1.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL539614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJPZMWOVNHCXKV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL536121 |
| Active Moiety | CHEMBL536121 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.8
MW (Da)
6.78
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 48.0 | nM | 7.32 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 b... | 17533134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17533134 | 10.1016/j.bmc.2007.05.034 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine