Compound Detail
CHEMBL5203552
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N[C@H](Cn1c(=O)cnc2ccc(F)cc21)[C@H]1CC[C@H](NCc2ncc3c(n2)NC(=O)CO3)CC1
Basic Information
| ChEMBL ID | CHEMBL5203552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIVJTBXDGKAQQI-FVQBIDKESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
1.33
ALogP
9
HBA
3
HBD
137.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Escherichia coli topoisomerase 4 | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34998058 | 10.1016/j.ejmech.2021.114085 | Pseudomonas aeruginosa | 2 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Escherichia coli | 2 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | No relevant target | 2 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Staphylococcus aureus | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Klebsiella pneumoniae | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Unchecked | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine