Compound Detail
CHEMBL2401911
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 | CHEMBL2401911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMEKANQMCVMOHD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
371.9
MW (Da)
5.33
ALogP
5
HBA
1
HBD
54.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 18000.0 | nM | 4.75 | Antitrypanosomal activity against Trypanosoma brucei brucei assessed as parasite... | 23746473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23746473 | 10.1016/j.bmcl.2013.05.049 | BJ | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | Raji | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | HepG2 | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | HEK293 | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | ADMET | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | Trypanosoma brucei brucei | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine