Compound Detail
CHEMBL4869345
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N#Cc1ccc(Cn2c(NC3CCN(CCc4ccc(C(=O)NCCO)cc4)CC3)nc3ccccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL4869345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNWKYKAJJLWYPN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
3.80
ALogP
7
HBA
3
HBD
106.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.12 | 6.12 | 759.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 759.0 | nM | 6.12 | 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