Compound Detail
CHEMBL2324285
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
COC(=O)C1CCN(c2cc(Cl)c(C(=O)Nc3cc(-c4nc5ccccc5s4)ccc3C)cc2[N+](=O)[O-])CC1
Basic Information
| ChEMBL ID | CHEMBL2324285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEUUIGHTAGZUPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
565.0
MW (Da)
6.48
ALogP
8
HBA
1
HBD
114.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 310.0 | nM | 6.51 | Antitrypanosomal activity against Trypanosoma brucei brucei 221 after 48 hrs by ... | 23484493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23484493 | 10.1021/jm301687p | No relevant target | 1 |
| 23484493 | 10.1021/jm301687p | ADMET | 1 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei brucei | 1 |
| 23484493 | 10.1021/jm301687p | HepG2 | 1 |
| 23484493 | 10.1021/jm301687p | BJ | 1 |
| 23484493 | 10.1021/jm301687p | Raji | 1 |
| 23484493 | 10.1021/jm301687p | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine