Compound Detail
CHEMBL3397245
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Basic Information
| ChEMBL ID | CHEMBL3397245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEIOABUDCJPTJW-UHFFFAOYSA-N |
6
Targets
12
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
2.25
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 5.54
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.36 | 5.005 | 4400.0 | 4 |
| Leishmania donovani CHEMBL367 | IC50 | 5.0 | 4.7667 | 10000.0 | 3 |
| H9c2 CHEMBL614576 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.9 | 4.9 | 12590.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.8 | 4.8 | 15700.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.6 | 4.6 | 25120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25461316 | 10.1016/j.ejmech.2014.11.018 | ADMET | 5 |
| 30100019 | 10.1016/j.bmc.2018.06.033 | Leishmania donovani | 3 |
| 30100019 | 10.1016/j.bmc.2018.06.033 | Trypanosoma cruzi | 3 |
| 25461316 | 10.1016/j.ejmech.2014.11.018 | Trypanosoma cruzi | 2 |
| 25461316 | 10.1016/j.ejmech.2014.11.018 | Leishmania amazonensis | 1 |
| 30100019 | 10.1016/j.bmc.2018.06.033 | HepG2 | 1 |
| 30100019 | 10.1016/j.bmc.2018.06.033 | THP-1 | 1 |
| 30100019 | 10.1016/j.bmc.2018.06.033 | H9c2 | 1 |
| 30100019 | 10.1016/j.bmc.2018.06.033 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine