Compound Detail
CHEMBL337981
FLOUROTEBUQUINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL337981 |
| Name | FLOUROTEBUQUINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFNYEYANDSEUAB-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.4
MW (Da)
7.98
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.24 | 7.1775 | 58.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 58.0 | nM | 7.24 | Antimalarial activity against Plasmodium falciparum 3D7 | - |
| Plasmodium falciparum | IC50 | = | 61.6 | nM | 7.21 | In vitro inhibition of chloroquine-sensitive Plasmodium falciparum HB3 | 9046333 |
| Plasmodium falciparum | IC50 | = | 74.0 | nM | 7.13 | Antimalarial activity against Plasmodium falciparum K1 | - |
| Plasmodium falciparum | IC50 | = | 74.3 | nM | 7.13 | In vitro inhibition of chloroquine-resistant Plasmodium falciparum K1 | 9046333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00040-6 | Plasmodium falciparum | 2 |
| 9046333 | 10.1021/jm960370r | Plasmodium falciparum | 2 |
| 9046333 | 10.1021/jm960370r | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine