Compound Detail
CHEMBL484131
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Basic Information
| ChEMBL ID | CHEMBL484131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBAXWZZGFBMKHP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
352.9
MW (Da)
4.46
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma mansoni CHEMBL612893 | IC50 | 5.43 | 5.325 | 3680.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma mansoni | IC50 | = | 3680.0 | nM | 5.43 | Antischistosomal activity against Schistosoma mansoni Egyptian assessed as worm ... | 33479649 |
| Schistosoma mansoni | IC50 | = | 5950.0 | nM | 5.22 | Antischistosomal activity against Schistosoma mansoni Puerto-Rican assessed as w... | 33479649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479649 | 10.1039/D0MD00062K | Schistosoma mansoni | 5 |
| 33479649 | 10.1039/D0MD00062K | Unchecked | 3 |
| 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 | Plasmodium falciparum | 1 |
| 19364118 | 10.1021/jm801490z | ADMET | 1 |
Data from ChEMBL 36 via Core Engine