Compound Detail
CHEMBL4795316
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 | CHEMBL4795316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASPQQYYQADAUGD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.9
MW (Da)
3.12
ALogP
7
HBA
0
HBD
80.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.01 | 6.01 | 970.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 960.0 | nM | 6.02 | Antiamoebic activity against Entamoeba histolytica HK9 ATCC 30015 incubated for ... | 33234343 |
| Giardia intestinalis | IC50 | = | 970.0 | nM | 6.01 | Antigiardial activity against Giardia intestinalis WB ATCC 30957 incubated for 7... | 32869995 |
| Giardia intestinalis | IC50 | = | 970.0 | nM | 6.01 | Antigiardial activity against Giardia intestinalis WB ATCC 30957 incubated for 7... | 33234343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32869995 | 10.1021/acs.jmedchem.0c00910 | Giardia intestinalis | 1 |
| 33234343 | 10.1016/j.ejmech.2020.112994 | Entamoeba histolytica | 1 |
| 33234343 | 10.1016/j.ejmech.2020.112994 | Giardia intestinalis | 1 |
Data from ChEMBL 36 via Core Engine