Compound Detail
CHEMBL435174
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CCOc1ccccc1C1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21
Basic Information
| ChEMBL ID | CHEMBL435174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXHHUENDPWGBBM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.5
MW (Da)
6.23
ALogP
7
HBA
0
HBD
54.4
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 3000.0 | nM | 5.52 | Inhibition of 1S,3R-ACPD (10 uM) -stimulated GTP gamma 35S binding on rat Metabo... | 10386938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10386938 | 10.1016/s0960-894x(99)00227-9 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine