Compound Detail
CHEMBL2180486
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Basic Information
| ChEMBL ID | CHEMBL2180486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJMFAQGRFMHTGK-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.63
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division protein FtsZ CHEMBL5096 | Kd | 5.46 | 4.915 | 3500.0 | 4 |
| Cell division protein FtsZ CHEMBL3999 | Kd | 5.42 | 5.42 | 3800.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.66 | 4.66 | 21800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division protein FtsZ | Kd | = | 3500.0 | nM | 5.46 | Binding affinity to Staphylococcus aureus FtsZ expressed in Escherichia coli BL2... | 23050700 |
| Cell division protein FtsZ | Kd | = | 3800.0 | nM | 5.42 | Binding affinity to Escherichia coli FtsZ at 25 degC by fluorescence anisotropy ... | 23050700 |
| Cell division protein FtsZ | Kd | = | 5000.0 | nM | 5.3 | Binding affinity to Staphylococcus aureus FtsZ G196A mutant expressed in Escheri... | 23050700 |
| Unchecked | Kd | = | 21800.0 | nM | 4.66 | Binding affinity to Enterococcus faecalis FtsZ at 25 degC by fluorescence anisot... | 23050700 |
| Cell division protein FtsZ | Kd | = | 32900.0 | nM | 4.48 | Binding affinity to Staphylococcus aureus FtsZ I228R mutant expressed in Escheri... | 23050700 |
| Cell division protein FtsZ | Kd | = | 38300.0 | nM | 4.42 | Binding affinity to Staphylococcus aureus FtsZ E185A mutant expressed in Escheri... | 23050700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23050700 | 10.1021/jm3012728 | Cell division protein FtsZ | 17 |
| 23050700 | 10.1021/jm3012728 | Staphylococcus aureus | 12 |
| 23050700 | 10.1021/jm3012728 | Escherichia coli | 5 |
| 23050700 | 10.1021/jm3012728 | Unchecked | 5 |
| 23050700 | 10.1021/jm3012728 | Klebsiella pneumoniae | 2 |
| 23050700 | 10.1021/jm3012728 | Enterococcus faecalis | 2 |
| 23050700 | 10.1021/jm3012728 | Tubulin beta chain | 1 |
| 23050700 | 10.1021/jm3012728 | Acinetobacter baumannii | 1 |
| 23050700 | 10.1021/jm3012728 | Bacillus subtilis | 1 |
| 23050700 | 10.1021/jm3012728 | Streptococcus agalactiae | 1 |
| 23050700 | 10.1021/jm3012728 | Streptococcus pyogenes | 1 |
Data from ChEMBL 36 via Core Engine