Compound Detail
CHEMBL2262641
QUERCETIN-3-O-RHAMNOSIDE Enter ChEMBL ID:
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C[C@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2262641 |
| Name | QUERCETIN-3-O-RHAMNOSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXGUCUVFOIWWQJ-JHPRLSDPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
0.49
ALogP
11
HBA
7
HBD
190.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 7.36 | 7.36 | 43.5 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 7.17 | 7.17 | 67.3 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.2 | 5.2 | 6367.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 7 | Ki | = | 3.9 | nM | 8.41 | Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at... | 26498393 |
| Carbonic anhydrase 12 | Ki | = | 43.5 | nM | 7.36 | Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins a... | 26498393 |
| Carbonic anhydrase 4 | Ki | = | 67.3 | nM | 7.17 | Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at... | 26498393 |
| Carbonic anhydrase 2 | Ki | = | 6367.7 | nM | 5.2 | Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at... | 26498393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9767-1 | Entamoeba histolytica | 1 |
| 26498393 | 10.1016/j.bmc.2015.10.018 | Carbonic anhydrase 1 | 1 |
| 26498393 | 10.1016/j.bmc.2015.10.018 | Carbonic anhydrase 2 | 1 |
| 26498393 | 10.1016/j.bmc.2015.10.018 | Carbonic anhydrase 4 | 1 |
| 26498393 | 10.1016/j.bmc.2015.10.018 | Carbonic anhydrase 7 | 1 |
| 26498393 | 10.1016/j.bmc.2015.10.018 | Carbonic anhydrase 12 | 1 |
| 28988761 | 10.1016/j.bmcl.2017.09.051 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine