Compound Detail
CHEMBL454264
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Basic Information
| ChEMBL ID | CHEMBL454264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABDKYHFTQBTRIG-OUKQBFOZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
4.71
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.46 | 5.46 | 3480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 3480.0 | nM | 5.46 | 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 |
Data from ChEMBL 36 via Core Engine