Compound Detail
CHEMBL2325781
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 | CHEMBL2325781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVTJYJLSLTZNSB-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
393.8
MW (Da)
5.31
ALogP
5
HBA
1
HBD
98.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei gambiense CHEMBL613768 | EC50 | 6.68 | 6.41 | 210.0 | 3 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.54 | 6.43 | 290.0 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei gambiense | EC50 | = | 210.0 | nM | 6.68 | Antitrypanosomal activity against Trypanosoma brucei gambiense STIB930 after 70 ... | 23484493 |
| Trypanosoma brucei brucei | EC50 | = | 290.0 | nM | 6.54 | Antitrypanosomal activity against blood stream stage of Trypanosoma brucei bruce... | 23484493 |
| Trypanosoma brucei rhodesiense | EC50 | = | 370.0 | nM | 6.43 | Antitrypanosomal activity against bloodstream forms of wild type Trypanosoma bru... | 23484493 |
| Trypanosoma brucei gambiense | EC50 | = | 460.0 | nM | 6.34 | Antitrypanosomal activity against Trypanosoma brucei gambiense KO48 after 70 hrs... | 23484493 |
| Trypanosoma brucei brucei | EC50 | = | 480.0 | nM | 6.32 | Antitrypanosomal activity against Trypanosoma brucei brucei 221 after 48 hrs by ... | 23484493 |
| Trypanosoma brucei gambiense | EC50 | = | 620.0 | nM | 6.21 | Antitrypanosomal activity against Trypanosoma brucei gambiense DAL 898R after 70... | 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 | ADMET | 1 |
| 23484493 | 10.1021/jm301687p | No relevant target | 1 |
| 23484493 | 10.1021/jm301687p | BJ | 1 |
| 23484493 | 10.1021/jm301687p | Raji | 1 |
| 23484493 | 10.1021/jm301687p | HepG2 | 1 |
| 23484493 | 10.1021/jm301687p | HEK293 | 1 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine