Compound Detail
CHEMBL5589717
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
C/C(=C\C=C/[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL5589717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZFRNCSOCOPNDB-LNVQSPMDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
0.97
ALogP
4
HBA
4
HBD
123.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Glutamate receptor 4 CHEMBL3505 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Displacement of [3H]-Kainic acid from KA in rat brain membrane preincubated for ... | 39133077 |
| Glutamate receptor 4 | IC50 | = | 32000.0 | nM | 4.5 | Displacement of [3H]-AMPA from AMPA in rat brain membrane preincubated for 15 mi... | 39133077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39133077 | 10.1021/acs.jmedchem.4c01311 | Unchecked | 2 |
| 39133077 | 10.1021/acs.jmedchem.4c01311 | Glutamate receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine