Compound Detail
CHEMBL303984
CHLOROBIOCIN Enter ChEMBL ID:
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CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C
Basic Information
| ChEMBL ID | CHEMBL303984 |
| Name | CHLOROBIOCIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJAQNRBDVKIIKK-LFLQOBSNSA-N |
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
697.1
MW (Da)
5.37
ALogP
11
HBA
5
HBD
189.8
PSA (Ų)
0.09
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.22
Kd 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit B CHEMBL1826 | Kd | 8.92 | 8.92 | 1.2 | 1 |
| DNA gyrase CHEMBL3038482 | IC50 | 8.22 | 8.145 | 6.0 | 2 |
| DNA gyrase CHEMBL2094139 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.52 | 6.52 | 30.0 | 2 |
| DNA gyrase subunit B CHEMBL1826 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
| Topoisomerase IV CHEMBL3038508 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit B | Kd | = | 1.2 | nM | 8.92 | Binding affinity to Escherichia coli GyrB | 21235241 |
| DNA gyrase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity | 27143131 |
| DNA gyrase | IC50 | = | 8.5 | nM | 8.07 | Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxati... | 29803359 |
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of bacterial DNA gyrase subunit B | 28850227 |
| DNA gyrase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Escherichia coli DNA gyrase supercoiling activity | 27143131 |
| DNA gyrase subunit B | IC50 | = | 73.0 | nM | 7.14 | Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrol... | 18347114 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Escherichia coli DNA topoisomerase 4 decatenation activity | 27143131 |
| Topoisomerase IV | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Staphylococcus aureus DNA topoisomerase 4 decatenation activity | 27143131 |
Literature References
Data from ChEMBL 36 via Core Engine