Compound Detail
CHEMBL5183141
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Basic Information
| ChEMBL ID | CHEMBL5183141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMCMVPKLNOVHTA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.85
ALogP
6
HBA
2
HBD
93.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma mansoni CHEMBL612893 | EC50 | 6.71 | 6.0667 | 195.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma mansoni | EC50 | = | 195.0 | nM | 6.71 | Antischistosomal activity against adult stage of Schistosoma mansoni assessed as... | 34536671 |
| Schistosoma mansoni | EC50 | = | 1470.0 | nM | 5.83 | Antischistosomal activity against Schistosoma mansoni Puerto-Rican schistosomula... | 34536671 |
| Schistosoma mansoni | EC50 | = | 2200.0 | nM | 5.66 | Antischistosomal activity against Schistosoma mansoni Puerto-Rican schistosomula... | 34536671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34536671 | 10.1016/j.ejmech.2021.113823 | Schistosoma mansoni | 3 |
| 34536671 | 10.1016/j.ejmech.2021.113823 | HepG2 | 2 |
| 34536671 | 10.1016/j.ejmech.2021.113823 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine