Compound Detail
CHEMBL536769
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CCCCCCCCCCNC(=N)c1ccc(N2CCN(c3ccc(C(=N)NCCCCCCCCCC)cc3)CC2)cc1.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL536769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNBDVURAQDJEMT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL581731 |
| Active Moiety | CHEMBL581731 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
603.0
MW (Da)
9.12
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 75.0 | nM | 7.12 | 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