Compound Detail
CHEMBL5422455
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F[C@H]1CN(CCc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC[C@@H]1Nc1nc2ccccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL5422455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOWIZYNRFMJTNA-IRXDYDNUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
4.70
ALogP
6
HBA
2
HBD
82.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.83 | 6.625 | 147.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 147.0 | nM | 6.83 | Antiplasmodial activity against Plasmodium falciparum NF54 infected in human ery... | 38628794 |
| Plasmodium falciparum | IC50 | = | 384.0 | nM | 6.42 | Antiplasmodial activity against Plasmodium falciparum K1 infected in human eryth... | 38628794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38628794 | 10.1021/acsmedchemlett.3c00496 | Plasmodium falciparum | 2 |
| 38628794 | 10.1021/acsmedchemlett.3c00496 | Unchecked | 1 |
| 38628794 | 10.1021/acsmedchemlett.3c00496 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine