Compound Detail
CHEMBL68096
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Basic Information
| ChEMBL ID | CHEMBL68096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMHIZUSDRRRZIC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179292 |
| Active Moiety | CHEMBL1179292 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.92
ALogP
1
HBA
1
HBD
28.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.29 | 4.63 | 5106.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5106.0 | nM | 5.29 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 38880.0 | nM | 4.41 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of Escherichia coli DdlB assessed as residual activity of the enzyme ... | 21831641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8035425 | 10.1021/jm00040a010 | Homo sapiens | 3 |
| 8035425 | 10.1021/jm00040a010 | Unchecked | 2 |
| 21831641 | 10.1016/j.bmc.2011.07.020 | Unchecked | 2 |
| 21831641 | 10.1016/j.bmc.2011.07.020 | Escherichia coli | 2 |
| 21831641 | 10.1016/j.bmc.2011.07.020 | Staphylococcus aureus | 2 |
Data from ChEMBL 36 via Core Engine