Compound Detail
CHEMBL463913
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Basic Information
| ChEMBL ID | CHEMBL463913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUZZBPKTSOVBNB-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1186453 |
| Active Moiety | CHEMBL1186453 |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
3.31
ALogP
1
HBA
0
HBD
8.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 17.0 | nM | 7.77 | Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodi... | 15921407 |
| Trypanosoma brucei rhodesiense | IC50 | = | 370.0 | nM | 6.43 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 15921407 |
| Leishmania donovani | IC50 | = | 1150.0 | nM | 5.94 | Antileishmanial activity against Leishmania donovani | 15921407 |
| L6 | IC50 | = | 12700.0 | nM | 4.9 | Cytotoxicity against rat L6 cells | 15921407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15921407 | 10.1021/np0496284 | Unchecked | 2 |
| 15921407 | 10.1021/np0496284 | Trypanosoma brucei rhodesiense | 1 |
| 15921407 | 10.1021/np0496284 | Trypanosoma cruzi | 1 |
| 15921407 | 10.1021/np0496284 | Leishmania donovani | 1 |
| 15921407 | 10.1021/np0496284 | Plasmodium falciparum | 1 |
| 15921407 | 10.1021/np0496284 | L6 | 1 |
| 15921407 | 10.1021/np0496284 | Histidine-rich protein PFHRP-II | 1 |
| 15921407 | 10.1021/np0496284 | Plasmodium berghei | 1 |
| 15921407 | 10.1021/np0496284 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine