Compound Detail
CHEMBL4762558
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Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(C4=CCN(C(=O)OC(C)(C)C)C4)ccc3ncc21
Basic Information
| ChEMBL ID | CHEMBL4762558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWVOANGZBBYGBK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
5.31
ALogP
7
HBA
0
HBD
93.2
PSA (Ų)
0.37
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 1995.26 | nM | 5.7 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood str... | 33479690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479690 | 10.1039/d0md00103a | Trypanosoma brucei brucei | 1 |
| 33479690 | 10.1039/d0md00103a | MRC5 | 1 |
| 33479690 | 10.1039/d0md00103a | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine