Compound Detail
CHEMBL3264245
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Basic Information
| ChEMBL ID | CHEMBL3264245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSVJFNAIGNNGKK-QGZVFWFLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.53
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.11 | 5.5233 | 780.0 | 3 |
| Schistosoma mansoni CHEMBL612893 | EC50 | 4.11 | 4.11 | 78100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 780.0 | nM | 6.11 | Activation of Echinococcus granulosus in TRPM binding site of PZQ expressed in H... | 37970586 |
| Unchecked | EC50 | = | 1230.0 | nM | 5.91 | Activation of Mesocestoides corti in TRPM binding site of PZQ expressed in HEK29... | 37970586 |
| Unchecked | EC50 | = | 28000.0 | nM | 4.55 | Activation of Schistosoma mansoni in TRPM binding site of PZQ expressed in HEK29... | 37970586 |
| Schistosoma mansoni | EC50 | = | 78100.0 | nM | 4.11 | Anthelmintic activity against sexually mature Schistosoma mansoni PR-1 adult wor... | 24775301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37970586 | 10.1021/acsmedchemlett.3c00350 | Unchecked | 3 |
| 24775301 | 10.1016/j.bmcl.2014.04.014 | Schistosoma mansoni | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37970586 | 10.1021/acsmedchemlett.3c00350 | Schistosoma mansoni | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 37970586 | 10.1021/acsmedchemlett.3c00350 | Rodentolepis nana | 1 |
| - | 10.6019/CHEMBL5441142 | Schistosoma mansoni | 1 |
Data from ChEMBL 36 via Core Engine