Compound Detail
CHEMBL519350
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Basic Information
| ChEMBL ID | CHEMBL519350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNPOQWXFATWNBY-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
423.0
MW (Da)
6.41
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| Schistosoma mansoni CHEMBL612893 | IC50 | 4.93 | 4.875 | 11740.0 | 2 |
| ADMET CHEMBL612558 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 43.0 | nM | 7.37 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum Ghan... | 19364118 |
| MV4-11 | IC50 | = | 780.0 | nM | 6.11 | Antiproliferative activity against human MV4-11 cells after 72 hrs by MTT assay | 22748378 |
| Schistosoma mansoni | IC50 | = | 11740.0 | nM | 4.93 | Antischistosomal activity against Schistosoma mansoni Egyptian assessed as worm ... | 33479649 |
| Schistosoma mansoni | IC50 | = | 14980.0 | nM | 4.82 | Antischistosomal activity against Schistosoma mansoni Puerto-Rican assessed as w... | 33479649 |
| ADMET | IC50 | = | 29000.0 | nM | 4.54 | Cytotoxicity against human MRC5 SV2 cells after 72 hrs by resazurin-based fluoro... | 19364118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479649 | 10.1039/D0MD00062K | Schistosoma mansoni | 5 |
| - | 10.1007/s00044-011-9934-4 | Schistosoma mansoni | 3 |
| 19364118 | 10.1021/jm801490z | Plasmodium berghei | 2 |
| 19364118 | 10.1021/jm801490z | Unchecked | 1 |
| 19364118 | 10.1021/jm801490z | Nucleic Acid | 1 |
| 19364118 | 10.1021/jm801490z | Histidine-rich protein PFHRP-II | 1 |
| 19364118 | 10.1021/jm801490z | Mus musculus | 1 |
| 19364118 | 10.1021/jm801490z | Plasmodium falciparum | 1 |
| 19364118 | 10.1021/jm801490z | ADMET | 1 |
| 22748378 | 10.1016/j.bmc.2012.05.054 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine