Compound Detail
CHEMBL3319017
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Basic Information
| ChEMBL ID | CHEMBL3319017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJPKVBNXWHONIU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.03
ALogP
6
HBA
0
HBD
74.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| J774 CHEMBL614123 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 220.0 | nM | 6.66 | Trypanocidal activity against Trypanosoma cruzi Y epimastigotes infected in mous... | 25008454 |
| J774 | IC50 | = | 22000.0 | nM | 4.66 | Cytotoxicity against mouse J774 cells assessed as cell viability after 48 hrs by... | 25008454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25008454 | 10.1016/j.bmcl.2014.06.044 | Trypanosoma cruzi | 2 |
| 25008454 | 10.1016/j.bmcl.2014.06.044 | Unchecked | 1 |
| 25008454 | 10.1016/j.bmcl.2014.06.044 | J774 | 1 |
Data from ChEMBL 36 via Core Engine