Compound Detail
CHEMBL66534
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CCOCCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCN5CCOCC5)c4Cl)cn3C)cn2C)cn1C
Basic Information
| ChEMBL ID | CHEMBL66534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJQAPIMAWCDSJN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
743.3
MW (Da)
3.47
ALogP
13
HBA
5
HBD
177.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | Kd | 7.08 | 7.08 | 83.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | Kd | = | 83.3 | nM | 7.08 | Binding to the sequence 5'-ACAATTAA-3', a site proximal to the delta70 RNA polym... | 12182867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182867 | 10.1016/s0960-894x(02)00515-2 | Staphylococcus aureus | 2 |
| 12182867 | 10.1016/s0960-894x(02)00515-2 | Enterococcus faecalis | 2 |
| 12182867 | 10.1016/s0960-894x(02)00515-2 | Streptococcus pneumoniae | 2 |
| 12182867 | 10.1016/s0960-894x(02)00515-2 | Candida albicans | 1 |
| 12182867 | 10.1016/s0960-894x(02)00515-2 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine