Compound Detail
CHEMBL4791077
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COC(=O)c1nc(NC(=O)c2cc(NC(=O)c3nc(NC(C)=O)sc3C(C)C)cn2C)sc1C(C)C
Basic Information
| ChEMBL ID | CHEMBL4791077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJDRBEKJPRKLGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
4.43
ALogP
10
HBA
3
HBD
144.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.08 | 6.08 | 827.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 827.0 | nM | 6.08 | Antitrypanosomal activity against bloodstream form Trypanosoma brucei brucei 427... | 31978782 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31978782 | 10.1016/j.ejmech.2020.112043 | Trypanosoma brucei brucei | 2 |
| 31978782 | 10.1016/j.ejmech.2020.112043 | J774 | 2 |
| 31978782 | 10.1016/j.ejmech.2020.112043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine