Compound Detail
CHEMBL4458072
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Basic Information
| ChEMBL ID | CHEMBL4458072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSNUUAYHDXLGOA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
6.34
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.97 | 5.97 | 1070.0 | 2 |
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 | = | 1070.0 | nM | 5.97 | Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincu... | 27148793 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 1070.0 | nM | 5.97 | Inhibition of ABCG2 (unknown origin) | 32497962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27148793 | 10.1021/acs.jmedchem.6b00330 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 32497962 | 10.1016/j.ejmech.2020.112458 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
Data from ChEMBL 36 via Core Engine