Compound Detail
CHEMBL3137631
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Basic Information
| ChEMBL ID | CHEMBL3137631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFJPUMPZNOYIKX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.8
MW (Da)
4.44
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.72
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.72 | 6.72 | 191.1 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.72 | 6.72 | 191.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 191.1 | nM | 6.72 | OSM: Erythrocyte assay. NF54 with 3H-Hypoxanthine at 72hr time point. | - |
| Plasmodium falciparum | IC50 | = | 191.0 | nM | 6.72 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 as... | 34748707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34748707 | 10.1021/acs.jmedchem.1c00313 | Unchecked | 2 |
| - | 10.6019/CHEMBL3137547 | Plasmodium falciparum | 1 |
| 34748707 | 10.1021/acs.jmedchem.1c00313 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine