Compound Detail
CHEMBL4855202
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Basic Information
| ChEMBL ID | CHEMBL4855202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBGUJXXWTOXRQV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
4.56
ALogP
6
HBA
3
HBD
110.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma mansoni CHEMBL612893 | IC50 | 6.22 | 5.96 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma mansoni | IC50 | = | 600.0 | nM | 6.22 | Antischistosomal activity against Schistosoma mansoni Liberian NTS incubated for... | 33479649 |
| Schistosoma mansoni | IC50 | = | 2000.0 | nM | 5.7 | Antischistosomal activity against Schistosoma mansoni incubated for 72 hrs by in... | 33479649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479649 | 10.1039/D0MD00062K | Schistosoma mansoni | 3 |
Data from ChEMBL 36 via Core Engine