Compound Detail
CHEMBL100688
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Basic Information
| ChEMBL ID | CHEMBL100688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVRUMJBIPFJMIO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.2
MW (Da)
5.25
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.79
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) CHEMBL2111331 | IC50 | 4.17 | 4.17 | 67000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) | IC50 | = | 67000.0 | nM | 4.17 | Inhibition of autophosphorylation of the two-component signal transduction syste... | 9685233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9685233 | 10.1021/jm9803572 | Staphylococcus aureus | 2 |
| 9685233 | 10.1021/jm9803572 | Enterococcus faecalis | 2 |
| 9685233 | 10.1021/jm9803572 | KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) | 1 |
| 9685233 | 10.1021/jm9803572 | Enterococcus faecium | 1 |
Data from ChEMBL 36 via Core Engine