Compound Detail
CHEMBL2041237
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Basic Information
| ChEMBL ID | CHEMBL2041237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACUPSNHTSUMDJF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.9
MW (Da)
4.38
ALogP
7
HBA
0
HBD
85.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.09 | 4.09 | 80400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 3020.0 | nM | 5.52 | Antiamnesic activity against Entamoeba histolytica HM1:IMSS after 72 hrs by micr... | 22658085 |
| HepG2 | IC50 | = | 80400.0 | nM | 4.09 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 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