Compound Detail
CHEMBL5208646
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Basic Information
| ChEMBL ID | CHEMBL5208646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCSJONIMSBSGKM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
6.04
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 5.88 | 5.7533 | 1320.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 1320.0 | nM | 5.88 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 a... | 35091169 |
| Plasmodium falciparum | EC50 | = | 2010.0 | nM | 5.7 | Antiplasmodial activity against artemisinin-resistant Plasmodium falciparum ARC0... | 35091169 |
| Plasmodium falciparum | EC50 | = | 2100.0 | nM | 5.68 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 as... | 35091169 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35091169 | 10.1016/j.bmc.2022.116629 | Plasmodium falciparum | 3 |
| 35091169 | 10.1016/j.bmc.2022.116629 | HepG2 | 1 |
| 35091169 | 10.1016/j.bmc.2022.116629 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine