Compound Detail
CHEMBL4096088
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Basic Information
| ChEMBL ID | CHEMBL4096088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQJKEBBBDDNSGP-ZRFIDHNTSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
-0.28
ALogP
10
HBA
3
HBD
129.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 22000.0 | nM | 4.66 | Antileishmanial activity against Leishmania donovani MHOM/SD/62/ISCL2D axenic am... | 28284860 |
| Trypanosoma cruzi | IC50 | = | 25000.0 | nM | 4.6 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen strain C2C4 amastig... | 28284860 |
| Trypanosoma brucei rhodesiense | IC50 | = | 30000.0 | nM | 4.52 | Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei rhodes... | 28284860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28284860 | 10.1016/j.bmc.2017.02.016 | Unchecked | 3 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Trypanosoma brucei rhodesiense | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Trypanosoma cruzi | 1 |
| 28284860 | 10.1016/j.bmc.2017.02.016 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine