Compound Detail
CHEMBL2023963
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Basic Information
| ChEMBL ID | CHEMBL2023963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAKDEQRUZQIUER-FMTFEUNWSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
-0.35
ALogP
7
HBA
3
HBD
106.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.28
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 9.28 | 9.28 | 0.5 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | EC50 | = | 0.52 | nM | 9.28 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 measure... | 33784107 |
| Trypanosoma brucei rhodesiense | EC50 | = | 0.52 | nM | 9.28 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 incubat... | 33667845 |
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase | 22516671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22516671 | 10.1016/j.bmc.2012.03.049 | Unchecked | 1 |
| 33784107 | 10.1021/acs.jmedchem.1c00135 | Trypanosoma brucei rhodesiense | 1 |
| 33667845 | 10.1016/j.ejmech.2021.113290 | Trypanosoma brucei rhodesiense | 1 |
| 35144125 | 10.1016/j.ejmech.2022.114165 | MRC5 | 1 |
| 35144125 | 10.1016/j.ejmech.2022.114165 | Trypanosoma cruzi | 1 |
| 35144125 | 10.1016/j.ejmech.2022.114165 | Leishmania infantum | 1 |
| 35144125 | 10.1016/j.ejmech.2022.114165 | Macrophage | 1 |
Data from ChEMBL 36 via Core Engine