Compound Detail
CHEMBL4850317
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CC(C)(C)OC(=O)N1CCN(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(C#N)cc3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL4850317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPWJUXWDCIAIMF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
543.7
MW (Da)
4.39
ALogP
8
HBA
1
HBD
89.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.81 | 5.81 | 1542.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1542.0 | nM | 5.81 | Antiplasmodial activity against chloroquine-sensitive synchronized Plasmodium fa... | 34413963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34413963 | 10.1021/acsmedchemlett.1c00328 | Plasmodium falciparum | 2 |
| 34413963 | 10.1021/acsmedchemlett.1c00328 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine