Compound Detail
CHEMBL485414
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c1ccc2[nH]c(-c3ccc(-c4cc5cc(-c6nc7ccccc7[nH]6)ccc5o4)cc3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL485414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFOYEMOOCHTLEH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
7.19
ALogP
3
HBA
2
HBD
70.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.6 | 6.6 | 249.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 31.0 | nM | 7.51 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 18841956 |
| Trypanosoma brucei rhodesiense | IC50 | = | 249.0 | nM | 6.6 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 bloods... | 18841956 |
| L6 | IC50 | = | 6700.0 | nM | 5.17 | Cytotoxicity against rat L6 cells | 18841956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18841956 | 10.1021/jm800918v | Trypanosoma brucei rhodesiense | 3 |
| 18841956 | 10.1021/jm800918v | Unchecked | 3 |
| 18841956 | 10.1021/jm800918v | L6 | 1 |
| 18841956 | 10.1021/jm800918v | Plasmodium falciparum | 1 |
| 18841956 | 10.1021/jm800918v | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine