Compound Detail
CHEMBL219806
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1
Basic Information
| ChEMBL ID | CHEMBL219806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAVIVDMPFGTNOZ-MPZDIEGVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.4
MW (Da)
0.65
ALogP
10
HBA
5
HBD
161.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
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 | 5.08 | 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 | = | 10000.0 | nM | 5.0 | 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 |
| 17188860 | 10.1016/j.bmcl.2006.12.024 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine