Compound Detail
CHEMBL218010
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N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1
Basic Information
| ChEMBL ID | CHEMBL218010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXAZTLLCKPSOCJ-QGFMHUBQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
568.1
MW (Da)
0.96
ALogP
12
HBA
7
HBD
210.6
PSA (Ų)
0.21
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 5.16 | 5.16 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of protein synthesis in Escherichia coli S30 extracts by coupled tran... | 16890435 |
| Escherichia coli | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of protein synthesis in Escherichia coli by coupled transcription-tra... | 17188860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16890435 | 10.1016/j.bmcl.2006.07.052 | Escherichia coli | 2 |
| 16890435 | 10.1016/j.bmcl.2006.07.052 | Pseudomonas aeruginosa | 1 |
| 16890435 | 10.1016/j.bmcl.2006.07.052 | Staphylococcus aureus | 1 |
| 16890435 | 10.1016/j.bmcl.2006.07.052 | CCRF-CEM | 1 |
| 17188860 | 10.1016/j.bmcl.2006.12.024 | Escherichia coli | 1 |
| 17188860 | 10.1016/j.bmcl.2006.12.024 | Staphylococcus aureus | 1 |
| 17188860 | 10.1016/j.bmcl.2006.12.024 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine