Compound Detail
CHEMBL2336202
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
Cc1cccc(NC2=C(Nc3cccc(C)c3)C(=O)c3c(cccc3[N+](=O)[O-])C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL2336202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSOAZYZBKJWAHK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
5.03
ALogP
6
HBA
2
HBD
101.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 15000.0 | nM | 4.82 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense after 48 hrs by... | 23337598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23337598 | 10.1016/j.bmcl.2012.12.075 | L6 | 1 |
| 23337598 | 10.1016/j.bmcl.2012.12.075 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine