Compound Detail
CHEMBL3747174
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Basic Information
| ChEMBL ID | CHEMBL3747174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSDYFPQUTSURIM-XGCAABAXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
525.8
MW (Da)
5.89
ALogP
7
HBA
2
HBD
110.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bacillus subtilis CHEMBL359 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Micrococcus luteus CHEMBL614421 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacillus subtilis | IC50 | = | 1900.0 | nM | 5.72 | Antibiofilm activity against Bacillus subtilis MTCC 121 after 24 hrs by well dif... | 26586599 |
| Micrococcus luteus | IC50 | = | 2100.0 | nM | 5.68 | Antibiofilm activity against Micrococcus luteus MTCC 2470 after 24 hrs by crysta... | 26586599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26586599 | 10.1016/j.bmcl.2015.10.086 | Bacillus subtilis | 3 |
| 26586599 | 10.1016/j.bmcl.2015.10.086 | Micrococcus luteus | 3 |
| 26586599 | 10.1016/j.bmcl.2015.10.086 | Staphylococcus aureus | 2 |
| 26586599 | 10.1016/j.bmcl.2015.10.086 | Raoultella planticola | 1 |
| 26586599 | 10.1016/j.bmcl.2015.10.086 | Candida albicans | 1 |
| 26586599 | 10.1016/j.bmcl.2015.10.086 | Pseudomonas aeruginosa | 1 |
| 26586599 | 10.1016/j.bmcl.2015.10.086 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine