Compound Detail
CHEMBL2207300
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COc1cc2cc(-c3cccc(-c4ccc(C(C)(C)C)cc4)c3)[n+](C)c(C)c2cc1OC.[I-]
Basic Information
| ChEMBL ID | CHEMBL2207300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCGMLCGMZFDNQU-UHFFFAOYSA-M |
| Parent Compound | CHEMBL2220171 |
| Active Moiety | CHEMBL2220171 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
6.62
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division protein FtsZ CHEMBL5096 | Kd | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division protein FtsZ | Kd | = | 5400.0 | nM | 5.27 | Binding affinity to Staphylococcus aureus FtsZ expressed in Escherichia coli cel... | 23127490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23127490 | 10.1016/j.bmc.2012.10.009 | Cell division protein FtsZ | 5 |
| 23127490 | 10.1016/j.bmc.2012.10.009 | Enterococcus faecalis | 2 |
| 23127490 | 10.1016/j.bmc.2012.10.009 | Staphylococcus aureus | 2 |
| 23127490 | 10.1016/j.bmc.2012.10.009 | Tubulin beta chain | 1 |
Data from ChEMBL 36 via Core Engine