Compound Detail
CHEMBL235977
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Basic Information
| ChEMBL ID | CHEMBL235977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKYYPMIATFNGSH-LLVKDONJSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.50
ALogP
7
HBA
1
HBD
69.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Ki 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL4477 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 6.21 | 6.21 | 609.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | Ki | = | 0.6 | nM | 9.22 | Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thi... | 17929793 |
| Metabotropic glutamate receptor 1 | IC50 | = | 5.3 | nM | 8.28 | Antagonist activity at human mGluR1a expressed in CHO cells assessed by measurin... | 17929793 |
| Metabotropic glutamate receptor 5 | IC50 | = | 609.0 | nM | 6.21 | Antagonist activity at human mGluR5b expressed in HEK293 cells assessed by measu... | 17929793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17929793 | 10.1021/jm070590c | Metabotropic glutamate receptor 1 | 2 |
| 17929793 | 10.1021/jm070590c | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine