Compound Detail
CHEMBL373673
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Basic Information
| ChEMBL ID | CHEMBL373673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSDBEJANRNRWLX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
4.60
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.28 | 4.1267 | 52000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of Escherichia coli RNA polymerase holo enzyme by transcription assay | 24112046 |
| Unchecked | IC50 | = | 81000.0 | nM | 4.09 | Inhibition of Escherichia coli RNA polymerase core enzyme by transcription assay | 24112046 |
| Unchecked | IC50 | = | 97000.0 | nM | 4.01 | Inhibition of Escherichia coli RNA polymerase-RNA polymerase sigma factor RpoD i... | 24112046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24112046 | 10.1021/jm400485e | Unchecked | 4 |
| 17027262 | 10.1016/j.bmcl.2006.09.044 | Staphylococcus aureus | 2 |
| 17709248 | 10.1016/j.bmcl.2007.05.006 | Staphylococcus aureus | 2 |
Data from ChEMBL 36 via Core Engine