Compound Detail
CHEMBL235975
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Basic Information
| ChEMBL ID | CHEMBL235975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATPSAOLGMWJQNL-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.11
ALogP
7
HBA
1
HBD
69.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.66
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL4477 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 6.15 | 6.15 | 702.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 26.98 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 70.0 | nM | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | Ki | = | 0.5 | nM | 9.3 | Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thi... | 17929793 |
| Metabotropic glutamate receptor 1 | IC50 | = | 2.2 | nM | 8.66 | Antagonist activity at human mGluR1a expressed in CHO cells assessed by measurin... | 17929793 |
| Metabotropic glutamate receptor 5 | IC50 | = | 702.0 | nM | 6.15 | Antagonist activity at human mGluR5b expressed in HEK293 cells assessed by measu... | 17929793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17929793 | 10.1021/jm070590c | Rattus norvegicus | 3 |
| 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