Compound Detail
CHEMBL2402188
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[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)N(C#N)CCCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2402188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRPLTDISPBYOIJ-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
3.39
ALogP
6
HBA
1
HBD
94.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.85 | 9.85 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.14 | nM | 9.85 | Inhibition of Trypanosoma brucei recombinant rhodesain | 23611656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23611656 | 10.1021/jm301424d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine