Compound Detail
CHEMBL231231
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NC[C@@H]1CN(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)CC[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL231231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCRRUSMTJHWWKE-YRKFHGTDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
598.7
MW (Da)
1.74
ALogP
12
HBA
7
HBD
204.8
PSA (Ų)
0.16
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of protein synthesis in Escherichia coli by coupled transcription-tra... | 17188860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17188860 | 10.1016/j.bmcl.2006.12.024 | Escherichia coli | 1 |
| 17188860 | 10.1016/j.bmcl.2006.12.024 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine