Compound Detail
CHEMBL1362047
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Basic Information
| ChEMBL ID | CHEMBL1362047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWOWNIPZHGWKNR-DUXPYHPUSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
183.1
MW (Da)
1.29
ALogP
4
HBA
1
HBD
93.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.58 | 4.5067 | 26150.0 | 3 |
| No relevant target CHEMBL2362975 | IC50 | 4.51 | 4.51 | 30569.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.25 | 4.25 | 55700.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 4.17 | 4.17 | 67510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 26150.0 | nM | 4.58 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| No relevant target | IC50 | = | 30569.0 | nM | 4.51 | PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... | - |
| Unchecked | IC50 | = | 31935.0 | nM | 4.5 | PubChem BioAssay. Absorbance-based bacterial cell-based high throughput dose res... | - |
| Unchecked | IC50 | = | 36600.0 | nM | 4.44 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Entamoeba histolytica | IC50 | = | 55700.0 | nM | 4.25 | Antiamoebic activity against Entamoeba histolytica HK9 ATCC 30015 incubated for ... | 33234343 |
| Giardia intestinalis | IC50 | = | 67510.0 | nM | 4.17 | Antigiardial activity against Giardia intestinalis WB ATCC 30957 incubated for 7... | 33234343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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