Compound Detail
CHEMBL461672
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Cc1cc(-c2ccc(N(C)C)cc2)[s+]c(-c2ccc(N(C)C)cc2)c1.F[P-](F)(F)(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL461672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEUKPKAMDYLYNT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1186410 |
| Active Moiety | CHEMBL1186410 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
5.80
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of verapamil-induced ATPase activity in lipid activated mouse P-glyco... | 18849167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18849167 | 10.1016/j.bmc.2008.09.065 | Unchecked | 2 |
| 18849167 | 10.1016/j.bmc.2008.09.065 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine