Compound Detail
CHEMBL4289275
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Basic Information
| ChEMBL ID | CHEMBL4289275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCIAXXSXOIPUOE-LKEWCRSYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
-1.88
ALogP
6
HBA
2
HBD
98.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | EC50 | 10.4 | 10.4 | 0.0 | 1 |
| Enterococcus faecium CHEMBL357 | EC50 | 10.3 | 10.3 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | EC50 | = | 0.04 | nM | 10.4 | Antibacterial activity against Escherichia coli | 29268134 |
| Enterococcus faecium | EC50 | = | 0.05 | nM | 10.3 | Antibacterial activity against Streptococcus faecium | 29268134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29268134 | 10.1016/j.ejmech.2017.12.018 | Human alphaherpesvirus 3 | 2 |
| 29268134 | 10.1016/j.ejmech.2017.12.018 | Human betaherpesvirus 5 | 2 |
| 29268134 | 10.1016/j.ejmech.2017.12.018 | Human alphaherpesvirus 1 | 2 |
| 29268134 | 10.1016/j.ejmech.2017.12.018 | HEL | 2 |
| 29268134 | 10.1016/j.ejmech.2017.12.018 | Escherichia coli | 1 |
| 29268134 | 10.1016/j.ejmech.2017.12.018 | Enterococcus faecium | 1 |
| 29268134 | 10.1016/j.ejmech.2017.12.018 | Human alphaherpesvirus 2 | 1 |
Data from ChEMBL 36 via Core Engine