Compound Detail
CHEMBL448594
Chloroquine-pyrolidinyl Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL448594 |
| Name | Chloroquine-pyrolidinyl |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGEYLHAWJDNMTO-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.9
MW (Da)
4.56
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.72 | 6.545 | 19.0 | 4 |
| Heme CHEMBL4651321 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 19.0 | nM | 7.72 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 as... | - |
| Plasmodium falciparum | IC50 | = | 89.6 | nM | 7.05 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 18395298 |
| Plasmodium falciparum | IC50 | = | 90.0 | nM | 7.05 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | - |
| Plasmodium falciparum | IC50 | = | 44000.0 | nM | 4.36 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
| Heme | IC50 | = | 44000.0 | nM | 4.36 | 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