Compound Detail
CHEMBL445849
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Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCCNC5CCCCC5)c4Cl)cn3C)cn2C)cc1C(=O)NCCCNC1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL445849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBLZYKKAWYRHTR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
822.5
MW (Da)
6.34
ALogP
12
HBA
7
HBD
180.2
PSA (Ų)
0.06
QED
4
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | Kd | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | Kd | = | 1.19 | nM | 8.92 | 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