Compound Detail
CHEMBL5287733
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Basic Information
| ChEMBL ID | CHEMBL5287733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWKVLEDYXRWKRP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
578.9
MW (Da)
4.94
ALogP
8
HBA
2
HBD
87.6
PSA (Ų)
0.16
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.17 | 5.17 | 6740.0 | 1 |
| KB CHEMBL398 | IC50 | 4.79 | 4.79 | 16090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 360.0 | nM | 6.44 | Antiprotozoal activity against Trypanosoma brucei | 28886510 |
| Leishmania donovani | IC50 | = | 6740.0 | nM | 5.17 | Antiprotozoal activity against Leishmania donovani infected in mouse macrophage ... | 28886510 |
| KB | IC50 | = | 16090.0 | nM | 4.79 | Anticancer activity against human KB cells assessed as cell growth inhibition | 28886510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28886510 | 10.1016/j.ejmech.2017.08.014 | KB | 1 |
| 28886510 | 10.1016/j.ejmech.2017.08.014 | Leishmania donovani | 1 |
| 28886510 | 10.1016/j.ejmech.2017.08.014 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine