Compound Detail
CHEMBL122005
(S)-WILLARDIINE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL122005 |
| Name | (S)-WILLARDIINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FACUYWPMDKTVFU-BYPYZUCNSA-N |
6
Targets
6
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
-2.05
ALogP
5
HBA
3
HBD
118.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.41
EC50 1 meas. best 4.94
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 1 CHEMBL2009 | Ki | 6.41 | 6.41 | 386.0 | 1 |
| Glutamate receptor 2 CHEMBL4016 | Ki | 6.05 | 6.05 | 898.0 | 1 |
| Glutamate receptor 4 CHEMBL3190 | Ki | 5.05 | 5.05 | 8850.0 | 1 |
| Glutamate receptor 1 CHEMBL3753 | EC50 | 4.94 | 4.94 | 11500.0 | 1 |
| Glutamate receptor ionotropic, kainate 5 CHEMBL2675 | Ki | 4.54 | 4.54 | 28900.0 | 1 |
| Glutamate carboxypeptidase 2 CHEMBL1892 | IC50 | 4.17 | 4.17 | 67000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 1 | Ki | = | 386.0 | nM | 6.41 | Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 express... | 9357531 |
| Glutamate receptor 2 | Ki | = | 898.0 | nM | 6.05 | Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 express... | 9357531 |
| Glutamate receptor 4 | Ki | = | 8850.0 | nM | 5.05 | Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 express... | 9357531 |
| Glutamate receptor 1 | EC50 | = | 11500.0 | nM | 4.94 | Agonist activity at cyclothiazide-desensitized rat recombinant flop iGluR1 expre... | 18811139 |
| Glutamate receptor ionotropic, kainate 5 | Ki | = | 28900.0 | nM | 4.54 | Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic ... | 9357531 |
| Glutamate carboxypeptidase 2 | IC50 | = | 67000.0 | nM | 4.17 | Inhibition of human recombinant glutamate carboxypeptidase 2 by radioenzymatic a... | 17567119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357531 | 10.1021/jm9702387 | Glutamate receptor 1 | 1 |
| 9357531 | 10.1021/jm9702387 | Glutamate receptor 2 | 1 |
| 9357531 | 10.1021/jm9702387 | Glutamate receptor 4 | 1 |
| 9357531 | 10.1021/jm9702387 | Glutamate receptor ionotropic, kainate 5 | 1 |
| 17567119 | 10.1021/jm070133w | Glutamate carboxypeptidase 2 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 1 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 2 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 3 | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine