Compound Detail
CHEMBL504473
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Basic Information
| ChEMBL ID | CHEMBL504473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPFVYLKSZJDQAE-MDZDMXLPSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
4.51
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.85 | 5.85 | 1410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 1410.0 | nM | 5.85 | Antiamnesic activity against Entamoeba histolytica HM-1:IMSS after 72 hrs by try... | 18378360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18378360 | 10.1016/j.ejmech.2008.02.002 | Entamoeba histolytica | 1 |
| 18378360 | 10.1016/j.ejmech.2008.02.002 | ADMET | 1 |
| 18378360 | 10.1016/j.ejmech.2008.02.002 | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-013-0745-7 | Cyclooxygenase | 1 |
| - | 10.1007/s00044-013-0745-7 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine