Compound Detail
CHEMBL459056
CONIFERIN Enter ChEMBL ID:
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COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL459056 |
| Name | CONIFERIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFLMUHDGSQZDOW-FAOXUISGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
342.3
MW (Da)
-1.12
ALogP
8
HBA
5
HBD
128.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of COX1 | 16038536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30207720 | 10.1021/acs.jnatprod.8b00450 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
| 24953601 | 10.1016/j.bmcl.2014.05.077 | No relevant target | 1 |
| 27481560 | 10.1016/j.bmcl.2016.07.044 | Sucrase-isomaltase, intestinal | 1 |
Data from ChEMBL 36 via Core Engine