Compound Detail
CHEMBL2041250
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
COc1ccc(-c2nnnn2CC(=O)N2N=C(c3ccc(C)cc3)CC2c2ccc([N+](=O)[O-])cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL2041250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLJNFPQRKCZWMA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
3.94
ALogP
9
HBA
0
HBD
128.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.58 | 5.58 | 2630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 2630.0 | nM | 5.58 | Antiamnesic activity against Entamoeba histolytica HM1:IMSS after 72 hrs by micr... | 22658085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22658085 | 10.1016/j.ejmech.2012.03.049 | HepG2 | 5 |
| 22658085 | 10.1016/j.ejmech.2012.03.049 | Unchecked | 1 |
| 22658085 | 10.1016/j.ejmech.2012.03.049 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine