Compound Detail
CHEMBL250872
SYRINGIN Enter ChEMBL ID:
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COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL250872 |
| Name | SYRINGIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJVXKWHHAMZTBY-GCPOEHJPSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
-1.11
ALogP
9
HBA
5
HBD
138.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.76
EC50 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.76 | 4.6133 | 17200.0 | 3 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.15 | 4.15 | 70880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 17200.0 | nM | 4.76 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 34658231 |
| RAW264.7 | IC50 | = | 24000.0 | nM | 4.62 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 24679441 |
| RAW264.7 | IC50 | = | 34900.0 | nM | 4.46 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 24679441 |
| Prostaglandin G/H synthase 1 | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of COX1 | 16038536 |
| NON-PROTEIN TARGET | EC50 | = | 70880.0 | nM | 4.15 | Antioxidant activity assessed as superoxide radical scavenging activity after 20... | 21955940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24679441 | 10.1016/j.bmcl.2014.03.014 | RAW264.7 | 7 |
| 21489793 | 10.1016/j.bmcl.2011.03.091 | Unchecked | 6 |
| 24279769 | 10.1021/np4005773 | NON-PROTEIN TARGET | 4 |
| 25497988 | 10.1016/j.bmcl.2014.11.054 | RAW264.7 | 4 |
| 23484668 | 10.1021/np300490v | NON-PROTEIN TARGET | 3 |
| 34658231 | 10.1021/acs.jnatprod.1c00585 | RAW264.7 | 2 |
| 21194938 | 10.1016/j.bmcl.2010.12.025 | NON-PROTEIN TARGET | 2 |
| 21489793 | 10.1016/j.bmcl.2011.03.091 | Ribonuclease HI | 2 |
| 29254644 | 10.1016/j.bmcl.2017.12.014 | Unchecked | 2 |
| 21955940 | 10.1016/j.bmcl.2011.08.089 | NON-PROTEIN TARGET | 1 |
| 17918910 | 10.1021/np070388c | A549 | 1 |
| 23484668 | 10.1021/np300490v | ADMET | 1 |
| - | 10.1016/j.bse.2006.05.019 | Tribolium confusum | 1 |
| - | 10.1016/j.bse.2006.05.019 | Trogoderma granarium | 1 |
| 21955940 | 10.1016/j.bmcl.2011.08.089 | Radical scavenging activity | 1 |
| 17918910 | 10.1021/np070388c | K562 | 1 |
| 17918910 | 10.1021/np070388c | HeLa | 1 |
| 21194938 | 10.1016/j.bmcl.2010.12.025 | No relevant target | 1 |
| 15620237 | 10.1021/np040113m | Radical scavenging activity | 1 |
| 8988596 | 10.1021/np960452i | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine