Compound Detail
CHEMBL4740571
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cn[nH]c4)ccc3ncc21
Basic Information
| ChEMBL ID | CHEMBL4740571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWPBDSVZERAUHV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
4.55
ALogP
6
HBA
1
HBD
92.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 39.81 | nM | 7.4 | 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 | 2 |
| 33479690 | 10.1039/d0md00103a | MRC5 | 1 |
| 33479690 | 10.1039/d0md00103a | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine