Compound Detail
CHEMBL4513343
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CCOC(=O)c1ccc(NC(=O)CC2S/C(=N\N=C\c3c(-c4ccccc4)[nH]c4ccccc34)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL4513343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJSKBBIPNLQVNV-OCSSWDANSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
539.6
MW (Da)
4.96
ALogP
7
HBA
3
HBD
125.0
PSA (Ų)
0.17
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.16 | 5.16 | 6860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 6860.0 | nM | 5.16 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... | 31051403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31051403 | 10.1016/j.ejmech.2019.04.052 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine