Compound Detail
CHEMBL1814255
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Basic Information
| ChEMBL ID | CHEMBL1814255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBYJBQZVRWNBRU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.2
MW (Da)
4.44
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Salmonella typhimurium CHEMBL351 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Pseudomonas aeruginosa CHEMBL348 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Salmonella typhimurium | IC50 | = | 3100.0 | nM | 5.51 | Antimicrobial activity against Salmonella Typhimurium ATCC 14028 assessed as inh... | 21550812 |
| Pseudomonas aeruginosa | IC50 | = | 10200.0 | nM | 4.99 | Antimicrobial activity against Pseudomonas aeruginosa PA14 assessed as inhibitio... | 21550812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21550812 | 10.1016/j.bmc.2011.04.026 | Pseudomonas aeruginosa | 8 |
| 21550812 | 10.1016/j.bmc.2011.04.026 | Salmonella typhimurium | 7 |
Data from ChEMBL 36 via Core Engine