Compound Detail
CHEMBL430963
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Basic Information
| ChEMBL ID | CHEMBL430963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAZODAPNWXQCTM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
394.0
MW (Da)
0.74
ALogP
4
HBA
5
HBD
140.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.4 | 4.4 | 39500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 39500.0 | nM | 4.4 | In vitro growth inhibition against Entamoeba histolytica | 14695831 |
| Entamoeba histolytica | IC50 | = | 40000.0 | nM | 4.4 | Antimicrobial activity against Entamoeba histolytica | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149863 | 10.1021/jm060492b | Escherichia coli | 3 |
| 17474756 | 10.1021/jf0701032 | Pyrroline-5-carboxylate reductase | 2 |
| 14695831 | 10.1021/jm030084x | Entamoeba histolytica | 1 |
| 14695831 | 10.1021/jm030084x | Plasmodium falciparum | 1 |
| 14695831 | 10.1021/jm030084x | KB | 1 |
| 14695831 | 10.1021/jm030084x | ADMET | 1 |
| 14695831 | 10.1021/jm030084x | Squalene synthase | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine