Compound Detail
CHEMBL312471
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Basic Information
| ChEMBL ID | CHEMBL312471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IROZIFSXGAXYRY-IAGOWNOFSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
3.88
ALogP
3
HBA
1
HBD
24.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 7.43 | 6.955 | 37.0 | 4 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 5.32 | 5.32 | 4815.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL341 | Ki | 5.16 | 5.16 | 6950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 37.0 | nM | 7.43 | Tested for the inhibition of [3H]dizocilpine binding to N-methyl-D-aspartate (NM... | 8355251 |
| Glutamate NMDA receptor | Ki | = | 37.0 | nM | 7.43 | Tested for in vitro inhibition of the displacement of (+)-[3H]dizocilpine from N... | 8355251 |
| Glutamate NMDA receptor | Ki | = | 132.0 | nM | 6.88 | Tested for in vitro inhibition of the displacement of [3H]1-[1-(2-thieny])cycloh... | 8355251 |
| Glutamate NMDA receptor | Ki | = | 838.0 | nM | 6.08 | Tested for the inhibition of [3H]dizocilpine binding to N-methyl-D-aspartate (NM... | 8355251 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4815.0 | nM | 5.32 | Tested for in vitro inhibition of the displacement of (+)-[3H]pentazocine from s... | 8355251 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Ki | = | 6950.0 | nM | 5.16 | Tested for in vitro inhibition of the displacement of [3H]mazindol from GABA rec... | 8355251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8355251 | 10.1021/jm00069a008 | Glutamate NMDA receptor | 8 |
| 8355251 | 10.1021/jm00069a008 | Muscarinic acetylcholine receptor | 2 |
| 8355251 | 10.1021/jm00069a008 | Mu-type opioid receptor | 2 |
| 8355251 | 10.1021/jm00069a008 | GABA-A receptor; anion channel | 2 |
| 8355251 | 10.1021/jm00069a008 | Sigma non-opioid intracellular receptor 1 | 2 |
| 8355251 | 10.1021/jm00069a008 | Gamma-aminobutyric acid receptor subunit alpha-2 | 2 |
Data from ChEMBL 36 via Core Engine