Compound Detail
CHEMBL5074266
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CCC[C@@H](COc1ccc(F)c(C(N)=O)c1F)Nc1ccc([N+](=O)[O-])c2nonc12
Basic Information
| ChEMBL ID | CHEMBL5074266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUJJQAFTRAMDEK-VIFPVBQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
3.17
ALogP
8
HBA
2
HBD
146.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division protein FtsZ CHEMBL2417349 | Kd | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division protein FtsZ | Kd | = | 1900.0 | nM | 5.72 | 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 | Cell division protein FtsZ | 1 |
| 33908781 | 10.1021/acs.jmedchem.0c02207 | Bacillus subtilis | 1 |
Data from ChEMBL 36 via Core Engine