Compound Detail
CHEMBL339049
TEBUQUINE 🧪 Phase II
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
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL339049 |
| Name | TEBUQUINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BCHMRNALCJISMZ-UHFFFAOYSA-N |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
5
Known Names
Molecular Properties
466.4
MW (Da)
7.55
ALogP
4
HBA
3
HBD
57.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 8 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.05 | 7.4163 | 0.9 | 8 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.9 | nM | 9.05 | In vitro inhibition of chloroquine-sensitive Plasmodium falciparum HB3 | 9046333 |
| Plasmodium falciparum | IC50 | = | 13.0 | nM | 7.89 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 18395298 |
| Plasmodium falciparum | IC50 | = | 18.0 | nM | 7.75 | Antimalarial activity against Plasmodium falciparum 3D7 | - |
| Plasmodium falciparum | IC50 | = | 21.0 | nM | 7.68 | Antimalarial activity against Plasmodium falciparum K1 | - |
| Plasmodium falciparum | IC50 | = | 20.8 | nM | 7.68 | In vitro inhibition of chloroquine-resistant Plasmodium falciparum K1 | 9046333 |
| Plasmodium falciparum | IC50 | = | 24.2 | nM | 7.62 | In vitro inhibition of chloroquine-sensitive Plasmodium falciparum HB3 | 9046333 |
| Plasmodium falciparum | IC50 | = | 42.1 | nM | 7.38 | In vitro inhibition of chloroquine-resistant Plasmodium falciparum K1 | 9046333 |
| Plasmodium falciparum | IC50 | = | 53000.0 | nM | 4.28 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3712383 | 10.1021/jm00156a009 | Plasmodium berghei | 13 |
| 3553599 | 10.1021/jm00388a027 | Mus musculus | 7 |
| 9046333 | 10.1021/jm960370r | Plasmodium falciparum | 4 |
| 3553599 | 10.1021/jm00388a027 | Plasmodium berghei | 4 |
| 3712383 | 10.1021/jm00156a009 | Mus musculus | 4 |
| 17266295 | 10.1021/jm061232x | Plasmodium falciparum | 3 |
| - | 10.1016/0960-894X(96)00040-6 | Plasmodium falciparum | 2 |
| 9046333 | 10.1021/jm960370r | Molecular identity unknown | 1 |
| 17266295 | 10.1021/jm061232x | J774 | 1 |
| 18395298 | 10.1016/j.ejmech.2008.02.005 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine