Compound Detail
CHEMBL449317
HESPERIDIN 🧪 Phase III
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🧪 Phase III
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O
Basic Information
| ChEMBL ID | CHEMBL449317 |
| Name | HESPERIDIN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | QUQPHWDTPGMPEX-QJBIFVCTSA-N |
7
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names
2
Indications
Molecular Properties
610.6
MW (Da)
-1.16
ALogP
15
HBA
8
HBD
234.3
PSA (Ų)
0.18
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Arthritis, Rheumatoid Osteoporosis
Activity Summary
IC50 10 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.47 | 3348.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.78 | 4.78 | 16460.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 4.72 | 4.72 | 19160.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 4.68 | 4.68 | 20733.0 | 1 |
| Calmodulin-1 CHEMBL6093 | IC50 | 4.16 | 4.145 | 70000.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine