Compound Detail
CHEMBL2046851
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 | CHEMBL2046851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMROYHDODCYPMG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.9
MW (Da)
4.69
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L6 CHEMBL614793 | IC50 | 4.29 | 4.29 | 50700.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.25 | 4.25 | 55900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L6 | IC50 | = | 50700.0 | nM | 4.29 | Cytotoxicity against rat L6 cells | 22738640 |
| Trypanosoma brucei rhodesiense | IC50 | = | 55900.0 | nM | 4.25 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 by Alam... | 22738640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17542610 | 10.1021/jf0704211 | Botrytis cinerea | 3 |
| 22738640 | 10.1016/j.bmcl.2012.06.004 | Unchecked | 1 |
| 22738640 | 10.1016/j.bmcl.2012.06.004 | L6 | 1 |
| 22738640 | 10.1016/j.bmcl.2012.06.004 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine