Compound Detail
CHEMBL3604526
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3604526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXMKUKDAOJRXJE-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
5.30
ALogP
6
HBA
2
HBD
93.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.42
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H1703 CHEMBL1075522 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Schistosoma mansoni CHEMBL612893 | EC50 | 6.42 | 5.98 | 381.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H1703 | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human NCI-H1703 cells assessed as reduction in cell viabili... | - |
| Schistosoma mansoni | EC50 | = | 381.6 | nM | 6.42 | Antischistosomal activity against adult stage of Schistosoma mansoni assessed as... | 34536671 |
| Schistosoma mansoni | EC50 | = | 1400.0 | nM | 5.85 | Antischistosomal activity against Schistosoma mansoni Puerto-Rican schistosomula... | 34536671 |
| Schistosoma mansoni | EC50 | = | 2140.0 | nM | 5.67 | 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 |
| 26264842 | 10.1016/j.bmc.2015.07.074 | Soluble guanylate cyclase | 1 |
| 26264842 | 10.1016/j.bmc.2015.07.074 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine