Compound Detail
CHEMBL4752925
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Basic Information
| ChEMBL ID | CHEMBL4752925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGYPQHLGBHDJBR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
6.46
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma mansoni CHEMBL612893 | EC50 | 8.4 | 8.35 | 4.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 558.0 | ng.hr.mL-1 | Mus musculus |
| F | 64.0 | % | Mus musculus |
| T1/2 | 5.69 | hr | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
| Vd | 4.48 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma mansoni | EC50 | = | 3.98 | nM | 8.4 | Concentration required to kill 50% of 42 day old worms 5 days after drug treatme... | 34280206 |
| Schistosoma mansoni | EC50 | = | 4.96 | nM | 8.3 | 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 | 10 |
| 34280206 | 10.1371/journal.pntd.0009490 | Schistosoma mansoni | 2 |
| 34280206 | 10.1371/journal.pntd.0009490 | No relevant target | 1 |
| 34280206 | 10.1371/journal.pntd.0009490 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine