Compound Detail
CHEMBL510556
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Basic Information
| ChEMBL ID | CHEMBL510556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTKSWFFHMRVZFU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
4.04
ALogP
6
HBA
2
HBD
79.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Multidrug resistance-associated protein 1 CHEMBL3004 | IC50 | 5.92 | 5.92 | 1210.0 | 1 |
| ATP-binding cassette sub-family C member 2 CHEMBL5748 | IC50 | 4.67 | 4.67 | 21500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Multidrug resistance-associated protein 1 | IC50 | = | 1210.0 | nM | 5.92 | Inhibition of human MRP1 in human 2008 cells | 18707884 |
| ATP-binding cassette sub-family C member 2 | IC50 | = | 21500.0 | nM | 4.67 | Inhibition of human MRP2 expressed in dog MDCK2 cells | 18707884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18707884 | 10.1016/j.bmcl.2008.07.127 | Multidrug resistance-associated protein 1 | 2 |
| 18707884 | 10.1016/j.bmcl.2008.07.127 | ATP-binding cassette sub-family C member 2 | 1 |
| 18707884 | 10.1016/j.bmcl.2008.07.127 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine