Compound Detail
CHEMBL1685069
Strobochrysin-dimethylether Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1685069 |
| Name | Strobochrysin-dimethylether |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDGCKWYSZUGWHS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
3.79
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.23 | 5.165 | 5900.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 4.72 | 4.72 | 19000.0 | 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 | = | 5900.0 | nM | 5.23 | Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining | 21354800 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining | 21354800 |
| Unchecked | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of P-gp expressed in A2780adr cells by calcein AM accumulation assay | 21354800 |
| ATP-dependent translocase ABCB1 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow ... | 21354800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21354800 | 10.1016/j.bmc.2010.12.043 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | Unchecked | 2 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | A2780 | 1 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | MCF7 | 1 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine