Compound Detail
CHEMBL382431
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
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1[C@H](C(=O)O)[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL382431 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BXVKAWWDHCXMHN-LSJOCFKGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
-0.75
ALogP
6
HBA
3
HBD
153.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rhodesain CHEMBL4188 | Ki | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rhodesain | Ki | = | 900.0 | nM | 6.05 | Inhibition of Trypanosoma brucei rhodesiense rhodesain | 16516467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16516467 | 10.1016/j.bmcl.2006.02.026 | Rhodesain | 1 |
| 16516467 | 10.1016/j.bmcl.2006.02.026 | Trypanosoma brucei brucei | 1 |
| 16516467 | 10.1016/j.bmcl.2006.02.026 | J774 | 1 |
Data from ChEMBL 36 via Core Engine