Compound Detail
CHEMBL4743021
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Basic Information
| ChEMBL ID | CHEMBL4743021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRBZDGAFGGBUDP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
5.90
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma mansoni CHEMBL612893 | EC50 | 8.41 | 8.34 | 3.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma mansoni | EC50 | = | 3.9 | nM | 8.41 | Concentration required to kill 50% of 42 day old worms 5 days after drug treatme... | 34280206 |
| Schistosoma mansoni | EC50 | = | 5.4 | nM | 8.27 | Concentration required to kill 50% of 21 day old worms 5 days after drug treatme... | 34280206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34280206 | 10.1371/journal.pntd.0009490 | ADMET | 2 |
| 34280206 | 10.1371/journal.pntd.0009490 | Schistosoma mansoni | 2 |
| 34280206 | 10.1371/journal.pntd.0009490 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine