Compound Detail
CHEMBL301471
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Basic Information
| ChEMBL ID | CHEMBL301471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHPWCKXAIGRABY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
4.62
ALogP
8
HBA
1
HBD
96.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.55 | 4.55 | 27900.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.09 | 4.09 | 82100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 27900.0 | nM | 4.55 | Inhibition of Trypanosoma rhodesiense (strain STIB900) was determined using bloo... | 11300872 |
| Leishmania donovani | IC50 | = | 82100.0 | nM | 4.09 | Inhibition of L. donovani (Amastigotes) strain MHOM/ET/67/L82 maintained in fema... | 11300872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11300872 | 10.1021/jm0002578 | Trypanosoma cruzi | 2 |
| 14695831 | 10.1021/jm030084x | Entamoeba histolytica | 1 |
| 14695831 | 10.1021/jm030084x | Plasmodium falciparum | 1 |
| 14695831 | 10.1021/jm030084x | KB | 1 |
| 11300872 | 10.1021/jm0002578 | Trypanosoma brucei | 1 |
| 11300872 | 10.1021/jm0002578 | Leishmania donovani | 1 |
| 11300872 | 10.1021/jm0002578 | Plasmodium falciparum | 1 |
| 11300872 | 10.1021/jm0002578 | Vero | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine