Compound Detail
CHEMBL256967
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Basic Information
| ChEMBL ID | CHEMBL256967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUNIOWHVNDZWCB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.63
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 4.78 | 4.78 | 16600.0 | 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 | = | 16600.0 | nM | 4.78 | Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells | 20627559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18088098 | 10.1021/np070290y | Unchecked | 4 |
| 20627559 | 10.1016/j.bmcl.2010.05.057 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 18088098 | 10.1021/np070290y | NF-kappa-B inhibitor alpha | 1 |
| 18088098 | 10.1021/np070290y | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine