Compound Detail
CHEMBL5171174
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Basic Information
| ChEMBL ID | CHEMBL5171174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDPNKDDPOBCEGO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
5.91
ALogP
6
HBA
2
HBD
68.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma mansoni CHEMBL612893 | EC50 | 5.31 | 5.27 | 4870.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma mansoni | EC50 | = | 4870.0 | nM | 5.31 | Antischistosomal activity against Schistosoma mansoni Puerto-Rican schistosomula... | 34536671 |
| Schistosoma mansoni | EC50 | = | 5920.0 | nM | 5.23 | 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 | 2 |
Data from ChEMBL 36 via Core Engine