Compound Detail
CHEMBL1656
BIDESETHYL CHLOROQUINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1656 |
| Name | BIDESETHYL CHLOROQUINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYEDIFVVTRKXHP-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
263.8
MW (Da)
3.43
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.26 | 6.34 | 55.0 | 3 |
| Heme CHEMBL4651321 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 55.0 | nM | 7.26 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 as... | - |
| Plasmodium falciparum | IC50 | = | 1300.0 | nM | 5.89 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | - |
| Plasmodium falciparum | IC50 | = | 1338.0 | nM | 5.87 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 18395298 |
| Heme | IC50 | = | 58000.0 | nM | 4.24 | Inhibition of heme polymerization in Plasmodium falciparum after 15 min by liqui... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-007-9025-8 | 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 |
| - | 10.1007/s00044-007-9025-8 | Heme | 1 |
Data from ChEMBL 36 via Core Engine