Compound Detail
CHEMBL4450235
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O=C(CC1S/C(=N\N=C\c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)Nc1ccc(Br)cc1
Basic Information
| ChEMBL ID | CHEMBL4450235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJUDHMWSIMVIAN-RWPZCVJISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
546.5
MW (Da)
5.55
ALogP
5
HBA
3
HBD
98.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.11 | 5.11 | 7860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 7860.0 | nM | 5.11 | 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