Compound Detail
CHEMBL1814006
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1814006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBPDCVBASADIKT-FSRHSHDFSA-M |
| Parent Compound | CHEMBL1852712 |
| Active Moiety | CHEMBL1852712 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.00
ALogP
3
HBA
1
HBD
40.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Salmonella typhimurium CHEMBL351 | IC50 | 4.63 | 4.63 | 23400.0 | 1 |
| Pseudomonas aeruginosa CHEMBL348 | IC50 | 4.59 | 4.59 | 25500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Salmonella typhimurium | IC50 | = | 23400.0 | nM | 4.63 | Antimicrobial activity against Salmonella Typhimurium ATCC 14028 assessed as inh... | 21550812 |
| Pseudomonas aeruginosa | IC50 | = | 25500.0 | nM | 4.59 | 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