Compound Detail
CHEMBL134293
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CC(=O)NC[C@H]1CN(c2ccc(OCC3CCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)C3)c(F)c2)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL134293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUTZNAKQBPZDHU-CVMIBEPCSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
597.6
MW (Da)
3.07
ALogP
9
HBA
2
HBD
143.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Clostridioides difficile CHEMBL614965 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
| Escherichia coli CHEMBL354 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| DNA gyrase CHEMBL2094139 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Clostridioides difficile | IC50 | = | 840.0 | nM | 6.08 | Antibacterial activity against Clostridioides difficile assessed as inhibition o... | 38753983 |
| Escherichia coli | IC50 | = | 1500.0 | nM | 5.82 | In vitro inhibitory activity against protein synthesis was determined by transcr... | 14623007 |
| DNA gyrase | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against DNA gyrase enzyme was determined by supercoiling ass... | 14623007 |
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against Escherichia coli Topoisomerase IV in relaxation assa... | 14623007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38753983 | 10.1021/acs.jmedchem.4c00558 | Clostridioides difficile | 5 |
| 14623007 | 10.1016/j.bmcl.2003.07.028 | Staphylococcus aureus | 3 |
| 14623007 | 10.1016/j.bmcl.2003.07.028 | Escherichia coli | 3 |
| 38753983 | 10.1021/acs.jmedchem.4c00558 | Enterococcus faecium | 2 |
| 14623007 | 10.1016/j.bmcl.2003.07.028 | Enterococcus faecalis | 1 |
| 14623007 | 10.1016/j.bmcl.2003.07.028 | Enterococcus faecium | 1 |
| 14623007 | 10.1016/j.bmcl.2003.07.028 | Haemophilus influenzae | 1 |
| 14623007 | 10.1016/j.bmcl.2003.07.028 | DNA gyrase | 1 |
| 14623007 | 10.1016/j.bmcl.2003.07.028 | Unchecked | 1 |
| 38753983 | 10.1021/acs.jmedchem.4c00558 | Bacteroides thetaiotaomicron | 1 |
| 38753983 | 10.1021/acs.jmedchem.4c00558 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine