Compound Detail
CHEMBL2402194
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CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCCO2)N(C#N)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2402194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZCUAUANVBKGEO-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
3.16
ALogP
6
HBA
1
HBD
94.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.29 | 9.29 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.51 | nM | 9.29 | 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