Compound Detail
CHEMBL387427
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Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)cc1
Basic Information
| ChEMBL ID | CHEMBL387427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZDJKNOHLBVENT-POYMRFPPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
673.9
MW (Da)
1.75
ALogP
13
HBA
6
HBD
218.9
PSA (Ų)
0.15
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 5.52 | 5.46 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of protein synthesis in Escherichia coli by coupled transcription-tra... | 17188860 |
| Escherichia coli | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of protein synthesis in Escherichia coli S30 extracts by coupled tran... | 16890435 |
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 | CCRF-CEM | 1 |
| 16890435 | 10.1016/j.bmcl.2006.07.052 | Pseudomonas aeruginosa | 1 |
| 16890435 | 10.1016/j.bmcl.2006.07.052 | Staphylococcus aureus | 1 |
| 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