Compound Detail
CHEMBL1631
BIDESETHYL AMODIAQUINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1631 |
| Name | BIDESETHYL AMODIAQUINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVPAYZANVNXCCK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.8
MW (Da)
3.80
ALogP
4
HBA
3
HBD
71.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.68 | 7.225 | 21.0 | 2 |
| Heme CHEMBL4651321 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 21.0 | nM | 7.68 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 as... | - |
| Plasmodium falciparum | IC50 | = | 170.0 | nM | 6.77 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | - |
| Heme | IC50 | = | 73000.0 | nM | 4.14 | 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 |
| - | 10.1007/s00044-007-9025-8 | Heme | 1 |
Data from ChEMBL 36 via Core Engine