Compound Detail
CHEMBL3809785
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Basic Information
| ChEMBL ID | CHEMBL3809785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCKGYBDKSKWFGV-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
1.48
ALogP
8
HBA
0
HBD
86.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Bacillus subtilis CHEMBL359 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Raoultella planticola CHEMBL613271 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Staphylococcus aureus CHEMBL352 | IC50 | 5.01 | 5.005 | 9800.0 | 2 |
| Micrococcus luteus CHEMBL614421 | IC50 | 4.41 | 4.41 | 38900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 1500.0 | nM | 5.82 | Cytotoxicity against human A549 cells after 72 hrs by XTT assay | 27089214 |
| Bacillus subtilis | IC50 | = | 2200.0 | nM | 5.66 | Antibiofilm activity against Bacillus subtilis MTCC 121 after 24 hrs by crystal ... | 27089214 |
| Raoultella planticola | IC50 | = | 6100.0 | nM | 5.21 | Antibiofilm activity against Klebsiella planticola MTCC 530 after 24 hrs by crys... | 27089214 |
| Staphylococcus aureus | IC50 | = | 9800.0 | nM | 5.01 | Antibiofilm activity against Staphylococcus aureus MTCC 96 after 24 hrs by cryst... | 27089214 |
| Staphylococcus aureus | IC50 | = | 10100.0 | nM | 5.0 | Antibiofilm activity against Staphylococcus aureus MLS16 MTCC 2940 after 24 hrs ... | 27089214 |
| Micrococcus luteus | IC50 | = | 38900.0 | nM | 4.41 | Antibiofilm activity against Micrococcus luteus MTCC 2470 after 24 hrs by crysta... | 27089214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27089214 | 10.1016/j.ejmech.2016.03.042 | Staphylococcus aureus | 6 |
| 27089214 | 10.1016/j.ejmech.2016.03.042 | Raoultella planticola | 3 |
| 27089214 | 10.1016/j.ejmech.2016.03.042 | Micrococcus luteus | 3 |
| 27089214 | 10.1016/j.ejmech.2016.03.042 | Bacillus subtilis | 3 |
| 27089214 | 10.1016/j.ejmech.2016.03.042 | Candida albicans | 1 |
| 27089214 | 10.1016/j.ejmech.2016.03.042 | Pseudomonas aeruginosa | 1 |
| 27089214 | 10.1016/j.ejmech.2016.03.042 | Escherichia coli | 1 |
| 27089214 | 10.1016/j.ejmech.2016.03.042 | A549 | 1 |
| 27089214 | 10.1016/j.ejmech.2016.03.042 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine