Compound Detail
CHEMBL243148
SOPHORAFLAVANONE G Enter ChEMBL ID:
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C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O
Basic Information
| ChEMBL ID | CHEMBL243148 |
| Name | SOPHORAFLAVANONE G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRYVAQQLDYTHCL-CMJOXMDJSA-N |
16
Targets
126
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
5.31
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 124 meas. best 9.14
Ki 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB 3-1 CHEMBL614590 | IC50 | 9.14 | 8.5256 | 0.7 | 9 |
| HEK293 CHEMBL614818 | IC50 | 8.64 | 7.2845 | 2.3 | 38 |
| OVCAR-8 CHEMBL612555 | IC50 | 8.62 | 8.1456 | 2.4 | 9 |
| NCI-H460 CHEMBL396 | IC50 | 8.06 | 6.6015 | 8.8 | 20 |
| A549 CHEMBL392 | IC50 | 7.33 | 6.402 | 46.3 | 20 |
| KB-V1 CHEMBL4296451 | IC50 | 6.08 | 5.8333 | 822.3 | 9 |
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Voltage-dependent T-type calcium channel subunit alpha-1G CHEMBL4641 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.67 | 5.655 | 2120.0 | 2 |
| NCI/ADR-RES CHEMBL613829 | IC50 | 5.52 | 5.3256 | 3040.0 | 9 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine