Compound Detail
CHEMBL290509
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
COc1ccc(C2C(C(=O)OCCN(C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)cc1
Basic Information
| ChEMBL ID | CHEMBL290509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNDRHSZPAQLJFC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
5.84
ALogP
7
HBA
0
HBD
54.4
PSA (Ų)
0.43
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.52
Ki 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL2851 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 7000.0 | nM | 5.16 | Inhibition of 1S,3R-ACPD (10 uM) -stimulated GTP gamma 35S binding on rat Metabo... | 10386938 |
| Metabotropic glutamate receptor 2 | IC50 | = | 30000.0 | nM | 4.52 | Antagonist activity at rat mGlu2 expressed in CHO cells assessed as inhibition o... | 17964783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10386938 | 10.1016/s0960-894x(99)00227-9 | Metabotropic glutamate receptor 2 | 1 |
| 17964783 | 10.1016/j.bmcl.2007.10.026 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine