Compound Detail
CHEMBL3330180
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Basic Information
| ChEMBL ID | CHEMBL3330180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JELLMEKGFSJWSD-PWSUYJOCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.2
MW (Da)
4.32
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 4.44 | 4.44 | 36100.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.21 | 4.21 | 62200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 36100.0 | nM | 4.44 | Antiparasitic activity against promastigote stage of Leishmania infantum infecte... | 25173828 |
| Trypanosoma cruzi | IC50 | = | 62200.0 | nM | 4.21 | Antiparasitic activity against epimastigote stage of Trypanosoma cruzi infected ... | 25173828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25173828 | 10.1016/j.ejmech.2014.08.055 | Unchecked | 3 |
| 25173828 | 10.1016/j.ejmech.2014.08.055 | Trypanosoma cruzi | 2 |
| 25173828 | 10.1016/j.ejmech.2014.08.055 | Leishmania infantum | 2 |
| 25173828 | 10.1016/j.ejmech.2014.08.055 | Vero | 1 |
| 25173828 | 10.1016/j.ejmech.2014.08.055 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine