Compound Detail
CHEMBL3585716
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Basic Information
| ChEMBL ID | CHEMBL3585716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXYVEZMKARZIJF-NVMNQCDNSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
532.1
MW (Da)
5.45
ALogP
6
HBA
2
HBD
97.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 5.44 | 5.44 | 3660.0 | 1 |
| Escherichia coli CHEMBL354 | IC50 | 5.44 | 4.985 | 3660.0 | 2 |
| Enterococcus faecalis CHEMBL362 | IC50 | 5.44 | 5.44 | 3660.0 | 1 |
| Bacillus cereus CHEMBL613070 | IC50 | 5.44 | 5.44 | 3660.0 | 1 |
| Salmonella typhi CHEMBL614448 | IC50 | 5.44 | 5.44 | 3660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacillus cereus | IC50 | = | 3660.0 | nM | 5.44 | Antibacterial activity against Bacillus cereus CECT 148 assessed as inhibition o... | 25913865 |
| Staphylococcus aureus | IC50 | = | 3660.0 | nM | 5.44 | Antibacterial activity against Staphylococcus aureus CECT 86 assessed as inhibit... | 25913865 |
| Enterococcus faecalis | IC50 | = | 3660.0 | nM | 5.44 | Antibacterial activity against Enterococcus faecalis CECT 481 assessed as inhibi... | 25913865 |
| Salmonella typhi | IC50 | = | 3660.0 | nM | 5.44 | Antibacterial activity against Salmonella typhi CECT 409 assessed as inhibition ... | 25913865 |
| Escherichia coli | IC50 | = | 3660.0 | nM | 5.44 | Antibacterial activity against Escherichia coli CECT 405 assessed as inhibition ... | 25913865 |
| Escherichia coli | IC50 | = | 29350.0 | nM | 4.53 | Antibacterial activity against Escherichia coli CECT 100 assessed as inhibition ... | 25913865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25913865 | 10.1016/j.bmc.2015.04.010 | NON-PROTEIN TARGET | 8 |
| 25913865 | 10.1016/j.bmc.2015.04.010 | ADMET | 5 |
| 25913865 | 10.1016/j.bmc.2015.04.010 | Escherichia coli | 4 |
| 25913865 | 10.1016/j.bmc.2015.04.010 | Salmonella typhi | 2 |
| 25913865 | 10.1016/j.bmc.2015.04.010 | Enterococcus faecalis | 2 |
| 25913865 | 10.1016/j.bmc.2015.04.010 | Staphylococcus aureus | 2 |
| 25913865 | 10.1016/j.bmc.2015.04.010 | Bacillus cereus | 2 |
| 25913865 | 10.1016/j.bmc.2015.04.010 | Pectobacterium carotovorum | 2 |
| 25913865 | 10.1016/j.bmc.2015.04.010 | Bacillus subtilis | 2 |
Data from ChEMBL 36 via Core Engine