Compound Detail
CHEMBL490121
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C[N+](C)=c1ccc2c(-c3ccccc3)c3cc4c5c(c3[se]c-2c1)CCCN5CCC4.F[P-](F)(F)(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL490121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRBLWUOKOUWPIK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3558630 |
| Active Moiety | CHEMBL3558630 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL2573 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 5.64 | 5.475 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of verapamil-stimulated ATPase activity of mouse cysteine-less MDR3 | 19402665 |
| ATP-dependent translocase ABCB1 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of verapamil-stimulated ATPase activity of human histidine10-tagged M... | 19402665 |
| ATP-dependent translocase ABCB1 | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of human MDR1 expressed in MDCK2 cells assessed as enhancement of Cal... | 19402665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19402665 | 10.1021/jm900253g | ADMET | 10 |
| 19402665 | 10.1021/jm900253g | ATP-dependent translocase ABCB1 | 7 |
| 19402665 | 10.1021/jm900253g | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine