Compound Detail
CHEMBL250450
ISOQUERCETIN 🧪 Phase II
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🧪 Phase II
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Basic Information
| ChEMBL ID | CHEMBL250450 |
| Name | ISOQUERCETIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
27
Targets
61
Activities
3
Assay Types
0
PK Parameters
20
Publications
22
Known Names
5
Indications
Molecular Properties
464.4
MW (Da)
-0.54
ALogP
12
HBA
8
HBD
210.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Anemia, Sickle Cell Renal Insufficiency, Chronic Severe Acute Respiratory Syndrome Carcinoma, Renal Cell Kidney Neoplasms
Activity Summary
IC50 41 meas. best 6.52
EC50 11 meas. best 8.87
Ki 9 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKM CHEMBL1075189 | EC50 | 8.87 | 8.87 | 1.3 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 7.28 | 7.025 | 52.1 | 2 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 7.12 | 7.12 | 75.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 4.96 | 300.0 | 7 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.39 | 5.8 | 410.0 | 2 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 5.8 | 5.19 | 1600.0 | 2 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.78 | 5.78 | 1660.0 | 1 |
| Arginase CHEMBL3108635 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.39 | 5.325 | 4050.0 | 2 |
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 5.28 | 5.165 | 5250.0 | 2 |
| Protein disulfide-isomerase CHEMBL5422 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.04 | 4.58 | 9200.0 | 2 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.93 | 4.5975 | 11700.0 | 4 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.87 | 4.87 | 13390.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Solute carrier organic anion transporter family member 2B1 CHEMBL1743124 | IC50 | 4.83 | 4.83 | 14791.1 | 2 |
| Aldo-keto reductase family 1 member B1 CHEMBL4559 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.72 | 4.72 | 19060.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.7 | 4.475 | 19800.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 4.59 | 4.51 | 25900.0 | 2 |
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 4.55 | 4.55 | 28430.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.21 | 4.165 | 61200.0 | 2 |
| N9 CHEMBL613516 | IC50 | 4.12 | 4.12 | 75200.0 | 1 |
| Brain CHEMBL613617 | EC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine