Compound Detail
CHEMBL335121
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Basic Information
| ChEMBL ID | CHEMBL335121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEHQJZRMAQYDOP-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.4
MW (Da)
7.93
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.16 | 6.38 | 69.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 69.0 | nM | 7.16 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 18395298 |
| Plasmodium falciparum | IC50 | = | 101.3 | nM | 6.99 | In vitro inhibition of chloroquine-resistant Plasmodium falciparum K1 | 9046333 |
| Plasmodium falciparum | IC50 | = | 104.1 | nM | 6.98 | In vitro inhibition of chloroquine-sensitive Plasmodium falciparum HB3 | 9046333 |
| Plasmodium falciparum | IC50 | = | 41000.0 | nM | 4.39 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046333 | 10.1021/jm960370r | Plasmodium falciparum | 2 |
| 18395298 | 10.1016/j.ejmech.2008.02.005 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine