Compound Detail
CHEMBL5410878
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FC(F)(F)c1nc(-c2ccc(CCN3CCC(Nc4nc5cnc(Cl)cc5[nH]4)CC3)cc2)no1
Basic Information
| ChEMBL ID | CHEMBL5410878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWLSIHUNDRIVJY-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
491.9
MW (Da)
4.80
ALogP
7
HBA
2
HBD
95.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.95 | 6.0825 | 112.0 | 4 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 112.0 | nM | 6.95 | 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 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 830.0 | nM | 6.08 | Inhibition of human ERG expressed in CHO K1 cells measured after 4 min by QPatch... | 38628794 |
| Plasmodium falciparum | IC50 | = | 1880.0 | nM | 5.73 | Antiplasmodial activity against late stage gametocytes Plasmodium falciparum NF5... | 38628794 |
| Plasmodium falciparum | IC50 | = | 5850.0 | nM | 5.23 | Antiplasmodial activity against immature stage gametocytes Plasmodium falciparum... | 38628794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38628794 | 10.1021/acsmedchemlett.3c00496 | Plasmodium falciparum | 4 |
| 38628794 | 10.1021/acsmedchemlett.3c00496 | ADMET | 3 |
| 38628794 | 10.1021/acsmedchemlett.3c00496 | Unchecked | 2 |
| 38628794 | 10.1021/acsmedchemlett.3c00496 | No relevant target | 1 |
| 38628794 | 10.1021/acsmedchemlett.3c00496 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 38628794 | 10.1021/acsmedchemlett.3c00496 | CHO | 1 |
Data from ChEMBL 36 via Core Engine