Compound Detail
CHEMBL8145
DAIDZEIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL8145 |
| Name | DAIDZEIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZQSIJRDFPHDXIC-UHFFFAOYSA-N |
23
Targets
51
Activities
3
Assay Types
6
PK Parameters
20
Publications
2
Known Names
1
Indications
Molecular Properties
254.2
MW (Da)
2.87
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Osteoporosis
Activity Summary
IC50 42 meas. best 8.0
Ki 8 meas. best 8.38
Kd 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 8.38 | 8.38 | 4.2 | 1 |
| MCF7 CHEMBL387 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 7.25 | 7.25 | 56.4 | 1 |
| Sulfotransferase 1A1 CHEMBL4886 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Estrogen receptor beta CHEMBL242 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.52 | 5.795 | 303.0 | 8 |
| Estrogen receptor CHEMBL206 | IC50 | 6.35 | 5.312 | 450.0 | 5 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 6.14 | 6.14 | 718.7 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.04 | 6.04 | 917.1 | 1 |
| Ishikawa CHEMBL614649 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Estrogen receptor CHEMBL206 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| Estrogen receptor CHEMBL2304421 | Kd | 5.23 | 5.23 | 5900.0 | 1 |
| UDP-glucuronosyltransferase 1A1 CHEMBL1287617 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Aldehyde dehydrogenase, mitochondrial CHEMBL1935 | IC50 | 5.05 | 5.05 | 9000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 4.59 | 9000.0 | 3 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL3762 | IC50 | 4.92 | 4.92 | 12000.0 | 2 |
| Monoamine oxidase CHEMBL2095205 | IC50 | 4.85 | 4.85 | 14000.0 | 2 |
| Transthyretin CHEMBL3194 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.62 | 4.62 | 23700.0 | 1 |
| Neuraminidase CHEMBL6135 | IC50 | 4.58 | 4.4467 | 26600.0 | 3 |
| Fatty acid synthase CHEMBL4512 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Aldo-keto reductase family 1 member B10 CHEMBL5983 | IC50 | 4.49 | 4.49 | 32200.0 | 1 |
| Sulfotransferase 2A1 CHEMBL3007 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.05 | 4.05 | 88100.0 | 1 |
| Aromatase CHEMBL1978 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 130.0 | nM hr ml | - |
| Ka | 1.13 | 10'5/M | Homo sapiens |
| Ka | 5.3 | 10^4L/mol | Sus scrofa |
| Ka | 1.2 | 10^4L/mol | Sus scrofa |
| Ka | 1.02 | 10^4L/mol | Sus scrofa |
| Tmax | 1.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine