Compound Detail
CHEMBL5188114
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Basic Information
| ChEMBL ID | CHEMBL5188114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHKNXMNUFMJOJB-KLSJZZFUSA-N |
| Parent Compound | CHEMBL5221789 |
| Active Moiety | CHEMBL5221789 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
374.6
MW (Da)
5.50
ALogP
2
HBA
1
HBD
19.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division protein FtsZ CHEMBL5096 | Kd | 5.62 | 5.62 | 2380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division protein FtsZ | Kd | = | 2380.0 | nM | 5.62 | Binding affinity to Staphylococcus aureus FtsZ assessed as dissociation constant... | 35421657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35421657 | 10.1016/j.ejmech.2022.114360 | Staphylococcus aureus | 11 |
| 35421657 | 10.1016/j.ejmech.2022.114360 | Cell division protein FtsZ | 8 |
| 35421657 | 10.1016/j.ejmech.2022.114360 | Unchecked | 4 |
| 35421657 | 10.1016/j.ejmech.2022.114360 | Enterococcus faecium | 4 |
| 35421657 | 10.1016/j.ejmech.2022.114360 | Bacillus subtilis | 3 |
| 35421657 | 10.1016/j.ejmech.2022.114360 | Escherichia coli | 3 |
| 35421657 | 10.1016/j.ejmech.2022.114360 | Staphylococcus epidermidis | 1 |
| 35421657 | 10.1016/j.ejmech.2022.114360 | Enterococcus faecalis | 1 |
| 35421657 | 10.1016/j.ejmech.2022.114360 | Acinetobacter baumannii | 1 |
| 35421657 | 10.1016/j.ejmech.2022.114360 | Pseudomonas aeruginosa | 1 |
| 35421657 | 10.1016/j.ejmech.2022.114360 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine