Compound Detail
CHEMBL2324296
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
Basic Information
| ChEMBL ID | CHEMBL2324296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URCGOVSHZAWRSG-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.8
MW (Da)
5.45
ALogP
5
HBA
1
HBD
98.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei gambiense CHEMBL613768 | EC50 | 6.38 | 5.7733 | 420.0 | 3 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.19 | 5.705 | 640.0 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei gambiense | EC50 | = | 420.0 | nM | 6.38 | Antitrypanosomal activity against Trypanosoma brucei gambiense STIB930 after 70 ... | 23484493 |
| Trypanosoma brucei brucei | EC50 | = | 640.0 | nM | 6.19 | Antitrypanosomal activity against blood stream stage of Trypanosoma brucei bruce... | 23484493 |
| Trypanosoma brucei gambiense | EC50 | = | 2600.0 | nM | 5.58 | Antitrypanosomal activity against Trypanosoma brucei gambiense KO48 after 70 hrs... | 23484493 |
| Trypanosoma brucei rhodesiense | EC50 | = | 3800.0 | nM | 5.42 | Antitrypanosomal activity against bloodstream forms of wild type Trypanosoma bru... | 23484493 |
| Trypanosoma brucei gambiense | EC50 | = | 4400.0 | nM | 5.36 | Antitrypanosomal activity against Trypanosoma brucei gambiense DAL 898R after 70... | 23484493 |
| Trypanosoma brucei brucei | EC50 | = | 6000.0 | nM | 5.22 | Antitrypanosomal activity against Trypanosoma brucei brucei 221 after 48 hrs by ... | 23484493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei gambiense | 3 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei brucei | 2 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine