Compound Detail
CHEMBL1807853
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Basic Information
| ChEMBL ID | CHEMBL1807853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCQGKKUPRZUVLY-QYVSTXNMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
-0.85
ALogP
10
HBA
4
HBD
148.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.43 | 6.415 | 370.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 370.0 | nM | 6.43 | Inhibition of Staphylococcus aureus LigA by FRET-based assay | 21719282 |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of Streptococcus pneumoniae LigA by FRET-based assay | 21719282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21719282 | 10.1016/j.bmcl.2011.05.128 | Unchecked | 2 |
| 21719282 | 10.1016/j.bmcl.2011.05.128 | Streptococcus pneumoniae | 1 |
| 21719282 | 10.1016/j.bmcl.2011.05.128 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine