Compound Detail
CHEMBL436099
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CN(C)c1ccc(-c2cc(-c3ccc(N(C)C)cc3)[se+]c(C(C)(C)C)c2)cc1.[I-]
Basic Information
| ChEMBL ID | CHEMBL436099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSFOWNDQBNXZKY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL2111292 |
| Active Moiety | CHEMBL2111292 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDCK-II CHEMBL4296466 | EC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDCK-II | EC50 | = | 6700.0 | nM | 5.17 | Enhancement of calcein-AM uptake in MDCK2 cells over expressing MDR1 after 20 mi... | 18849167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18849167 | 10.1016/j.bmc.2008.09.065 | ADMET | 7 |
| 17498962 | 10.1016/j.bmc.2007.04.033 | Unchecked | 2 |
| 17498962 | 10.1016/j.bmc.2007.04.033 | DNA | 2 |
| 18849167 | 10.1016/j.bmc.2008.09.065 | MDCK-II | 2 |
| 18849167 | 10.1016/j.bmc.2008.09.065 | ATP-dependent translocase ABCB1 | 2 |
| 17498962 | 10.1016/j.bmc.2007.04.033 | No relevant target | 1 |
| 18849167 | 10.1016/j.bmc.2008.09.065 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine