Compound Detail
CHEMBL477084
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Basic Information
| ChEMBL ID | CHEMBL477084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPWSVRCOEQMURU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
3.06
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Ki 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania mexicana CHEMBL612880 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.48 | 4.48 | 33400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania mexicana | IC50 | = | 15200.0 | nM | 4.82 | Antiprotozoal activity against axenic Leishmania mexicana amastigotes by alamar ... | 17698622 |
| Unchecked | Ki | = | 33400.0 | nM | 4.48 | Inhibition of [3H]hypoxanthine uptake at Trypanosoma brucei brucei 427 H2 transp... | 17698622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17698622 | 10.1128/aac.00425-07 | Trypanosoma cruzi | 3 |
| 17698622 | 10.1128/aac.00425-07 | Trypanosoma brucei brucei | 2 |
| 17698622 | 10.1128/aac.00425-07 | Leishmania major | 2 |
| 17698622 | 10.1128/aac.00425-07 | Unchecked | 1 |
| 17698622 | 10.1128/aac.00425-07 | Leishmania mexicana | 1 |
Data from ChEMBL 36 via Core Engine