Compound Detail
CHEMBL2011287
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Basic Information
| ChEMBL ID | CHEMBL2011287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBKBNZAWDPODNG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
4.83
ALogP
5
HBA
2
HBD
93.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of ABCG2-mediated mitoxantrone efflux in HEK293 cells by flow cytomet... | 22165858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22165858 | 10.1021/jm201404w | ATP-dependent translocase ABCB1 | 2 |
| 22165858 | 10.1021/jm201404w | Multidrug resistance-associated protein 1 | 2 |
| 22165858 | 10.1021/jm201404w | HEK293 | 2 |
| 22165858 | 10.1021/jm201404w | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
Data from ChEMBL 36 via Core Engine