Compound Detail
CHEMBL4455345
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Basic Information
| ChEMBL ID | CHEMBL4455345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGDKUVUCWKWKDA-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
2
PK Parameters
9
Publications
0
Known Names
Molecular Properties
321.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Leishmania aethiopica CHEMBL612651 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Leishmania major CHEMBL612879 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Leishmania mexicana CHEMBL612880 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Leishmania tropica CHEMBL612881 | EC50 | 5.7 | 5.7 | 2000.0 | 2 |
| Leishmania panamensis CHEMBL612882 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.9 | mL.min-1.g-1 | Homo sapiens |
| CL | 18.0 | mL.min-1.g-1 | Mesocricetus auratus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | EC50 | = | 1700.0 | nM | 5.77 | Antileishmanial activity against amastigote stage of Leishmania infantum MHOM/MA... | 34711050 |
| Leishmania major | EC50 | = | 2000.0 | nM | 5.7 | Antileishmanial activity Leishmania major MHOM/SA/85/JISH118 after 72 hrs by gie... | 31288128 |
| Leishmania panamensis | EC50 | = | 2000.0 | nM | 5.7 | Antileishmanial activity Leishmania panamensis MHOM/PA/67/BOYNTON after 72 hrs b... | 31288128 |
| Leishmania aethiopica | EC50 | = | 2000.0 | nM | 5.7 | Antileishmanial activity Leishmania aethiopica MHOM/ET/84/KH after 72 hrs by gie... | 31288128 |
| Leishmania mexicana | EC50 | = | 2000.0 | nM | 5.7 | Antileishmanial activity Leishmania mexicana MNYC/BZ/62/M379 after 72 hrs by gie... | 31288128 |
| Leishmania tropica | EC50 | = | 2000.0 | nM | 5.7 | Antileishmanial activity Leishmania tropica MHOM/IR/2013/HTD4 after 72 hrs by gi... | 31288128 |
| Leishmania tropica | EC50 | = | 2000.0 | nM | 5.7 | Antileishmanial activity Leishmania tropica AO21/p after 72 hrs by giemsa staini... | 31288128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34711050 | 10.1021/acs.jmedchem.1c01437 | ADMET | 3 |
| 31288128 | 10.1016/j.ejmech.2019.06.092 | Leishmania tropica | 2 |
| 31288128 | 10.1016/j.ejmech.2019.06.092 | Leishmania major | 1 |
| 31288128 | 10.1016/j.ejmech.2019.06.092 | Leishmania panamensis | 1 |
| 31288128 | 10.1016/j.ejmech.2019.06.092 | Leishmania aethiopica | 1 |
| 31288128 | 10.1016/j.ejmech.2019.06.092 | Leishmania mexicana | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Peritoneal macrophage | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | Leishmania infantum | 1 |
| 34711050 | 10.1021/acs.jmedchem.1c01437 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine