Compound Detail
CHEMBL148507
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Nc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)cc(-c3ccc(N4CCOCC4)cc3)[s+]2)cc1.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL148507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJRHPXFTEXLLHY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1180945 |
| Active Moiety | CHEMBL1180945 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
6.29
ALogP
5
HBA
1
HBD
51.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.7
IC50 1 meas. best 4.96
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Colon 26 | EC50 | = | 2000.0 | nM | 5.7 | Effective concentration evaluated in light induced toxicity toward COLO-26, muri... | 12408723 |
| Unchecked | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of verapamil-induced ATPase activity in lipid activated mouse P-glyco... | 18849167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12408723 | 10.1021/jm020260m | Colon 26 | 2 |
| 18849167 | 10.1016/j.bmc.2008.09.065 | Unchecked | 2 |
| 12408723 | 10.1021/jm020260m | No relevant target | 1 |
| 12408723 | 10.1021/jm020260m | Unchecked | 1 |
| 18849167 | 10.1016/j.bmc.2008.09.065 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine