Compound Detail
CHEMBL491577
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CN(C)c1ccc(-c2c3ccc(=[N+](C)C)cc-3[se]c3c4c5c(cc23)CCCN5CCC4)cc1.[Br-]
Basic Information
| ChEMBL ID | CHEMBL491577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVOHUHPNIYJWCI-UHFFFAOYSA-M |
| Parent Compound | CHEMBL3558637 |
| Active Moiety | CHEMBL3558637 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of verapamil-stimulated ATPase activity of human histidine10-tagged M... | 19402665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19402665 | 10.1021/jm900253g | ATP-dependent translocase ABCB1 | 3 |
Data from ChEMBL 36 via Core Engine