Compound Detail
CHEMBL4568663
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CN(C)C[C@@H](O)COc1ccc(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL4568663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBRORGYPYNNDGL-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
2.07
ALogP
11
HBA
2
HBD
113.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 199.53 | nM | 6.7 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood str... | 31846577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31846577 | 10.1021/acs.jmedchem.9b01741 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine