Compound Detail
CHEMBL485116
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Basic Information
| ChEMBL ID | CHEMBL485116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIJMEKQSLRFWEY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1186976 |
| Active Moiety | CHEMBL1186976 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
4.71
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.78 | 6.78 | 168.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 6.18 | 6.18 | 654.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.11 | 5.11 | 7770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6.0 | nM | 8.22 | Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodi... | 18476684 |
| Trypanosoma cruzi | IC50 | = | 56.0 | nM | 7.25 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C2C4 | 18476684 |
| Trypanosoma brucei rhodesiense | IC50 | = | 168.0 | nM | 6.78 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18476684 |
| Leishmania donovani | IC50 | = | 654.0 | nM | 6.18 | Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 axenic amast... | 18476684 |
| L6 | IC50 | = | 7770.0 | nM | 5.11 | Cytotoxicity against rat L6 cells | 18476684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18476684 | 10.1021/jm8003619 | Unchecked | 4 |
| 18476684 | 10.1021/jm8003619 | Plasmodium falciparum | 1 |
| 18476684 | 10.1021/jm8003619 | Trypanosoma cruzi | 1 |
| 18476684 | 10.1021/jm8003619 | Trypanosoma brucei rhodesiense | 1 |
| 18476684 | 10.1021/jm8003619 | Leishmania donovani | 1 |
| 18476684 | 10.1021/jm8003619 | L6 | 1 |
Data from ChEMBL 36 via Core Engine