Compound Detail
CHEMBL3961604
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Basic Information
| ChEMBL ID | CHEMBL3961604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPVKWRKLJRKPHS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
0.79
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.81 | 4.81 | 15370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 15370.0 | nM | 4.81 | Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi Y infect... | 27318979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27318979 | 10.1016/j.ejmech.2016.04.065 | NON-PROTEIN TARGET | 4 |
| 27318979 | 10.1016/j.ejmech.2016.04.065 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine