Compound Detail
CHEMBL2107266
LAURYL ISOQUINOLINIUM BROMIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2107266 |
| Name | LAURYL ISOQUINOLINIUM BROMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSJLMQTXVKCUCD-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1398631 |
| Active Moiety | CHEMBL1398631 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
15
Publications
4
Known Names
Molecular Properties
298.5
MW (Da)
6.05
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity against CHOK1 cells after 24 hrs by MTT assay | 26774252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26774252 | 10.1016/j.bmc.2016.01.006 | Staphylococcus aureus | 6 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Klebsiella pneumoniae | 6 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Staphylococcus epidermidis | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Enterococcus sp. | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Escherichia coli | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Pseudomonas aeruginosa | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Candida albicans | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Candida tropicalis | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Pichia kudriavzevii | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Nakaseomyces glabratus | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Trichosporon asahii | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Aspergillus fumigatus | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Lichtheimia corymbifera | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | Trichophyton mentagrophytes | 3 |
| 26774252 | 10.1016/j.bmc.2016.01.006 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine