Compound Detail
CHEMBL1814225
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Basic Information
| ChEMBL ID | CHEMBL1814225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVJFPVKSDOFDAY-XFULWGLBSA-M |
| Parent Compound | CHEMBL1851786 |
| Active Moiety | CHEMBL1851786 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
1.10
ALogP
5
HBA
1
HBD
83.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pseudomonas aeruginosa CHEMBL348 | IC50 | 4.69 | 4.69 | 20400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pseudomonas aeruginosa | IC50 | = | 20400.0 | nM | 4.69 | 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 | 3 |
| 21550812 | 10.1016/j.bmc.2011.04.026 | Salmonella typhimurium | 3 |
Data from ChEMBL 36 via Core Engine