Compound Detail
CHEMBL14921
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Basic Information
| ChEMBL ID | CHEMBL14921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEJSFAYHQYLGTJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.2
MW (Da)
4.68
ALogP
4
HBA
3
HBD
78.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 47000.0 | nM | 4.33 | Inhibitory concentration required against cell wall synthesis in Staphylococcus ... | 11354364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354364 | 10.1016/s0960-894x(01)00160-3 | Staphylococcus aureus | 1 |
| 11354364 | 10.1016/s0960-894x(01)00160-3 | Bacteria | 1 |
| 11354364 | 10.1016/s0960-894x(01)00160-3 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine