Compound Detail
CHEMBL4859940
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 | CHEMBL4859940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNWOZIVFPVMGIA-SCFUHWHPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
-0.19
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.28 | 4.28 | 52300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 52300.0 | nM | 4.28 | Antitrypanosomal activity against nifurtimox-sensitive Trypanosoma cruzi Tulahue... | 33784107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33784107 | 10.1021/acs.jmedchem.1c00135 | Trypanosoma cruzi | 1 |
| 33784107 | 10.1021/acs.jmedchem.1c00135 | Unchecked | 1 |
| 33784107 | 10.1021/acs.jmedchem.1c00135 | ADMET | 1 |
| 33784107 | 10.1021/acs.jmedchem.1c00135 | Leishmania infantum | 1 |
| 33784107 | 10.1021/acs.jmedchem.1c00135 | Peritoneal macrophage | 1 |
Data from ChEMBL 36 via Core Engine