Compound Detail
CHEMBL4203580
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Basic Information
| ChEMBL ID | CHEMBL4203580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAJGSUMHXIBVGE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
3.31
ALogP
7
HBA
1
HBD
91.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.59 | 6.59 | 259.0 | 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 | = | 259.0 | nM | 6.59 | Inhibition of C-terminal GFP-fused human ABCG2 expressed in MDCK2 cells preincub... | 29407974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29407974 | 10.1016/j.ejmech.2018.01.012 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
Data from ChEMBL 36 via Core Engine