Compound Detail
CHEMBL5085404
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Basic Information
| ChEMBL ID | CHEMBL5085404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDQMKFRLFDWUNG-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
4.74
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division protein FtsZ CHEMBL2417349 | Kd | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division protein FtsZ | Kd | = | 200.0 | nM | 6.7 | Binding affinity to Bacillus subtilis FtsZ polymer assessed as dissociation cons... | 33908781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33908781 | 10.1021/acs.jmedchem.0c02207 | Staphylococcus aureus | 4 |
| 33908781 | 10.1021/acs.jmedchem.0c02207 | Bacillus subtilis | 2 |
| 33908781 | 10.1021/acs.jmedchem.0c02207 | Cell division protein FtsZ | 1 |
| 33908781 | 10.1021/acs.jmedchem.0c02207 | Unchecked | 1 |
| 33908781 | 10.1021/acs.jmedchem.0c02207 | Staphylococcus epidermidis | 1 |
| 33908781 | 10.1021/acs.jmedchem.0c02207 | Staphylococcus haemolyticus | 1 |
| 33908781 | 10.1021/acs.jmedchem.0c02207 | IMR-90 | 1 |
Data from ChEMBL 36 via Core Engine