Compound Detail
CHEMBL22168
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Basic Information
| ChEMBL ID | CHEMBL22168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNZBIEKQOFEXIO-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
245.2
MW (Da)
0.45
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Kd 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.0 | 5.56 | 990.0 | 4 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL2015 | Kd | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 1010.0 | nM | 6.0 | NMDA receptor antagonistic activity was assessed from the ability to displace [3... | 2544728 |
| Glutamate NMDA receptor | IC50 | = | 990.0 | nM | 6.0 | Ability to displace [3H]CPP from NMDA receptor in rat brain membrane | 1533422 |
| Glutamate NMDA receptor | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [3H]CPP from N-methyl-D-aspartate glutamate receptor in rat brai... | 1533422 |
| Glutamate receptor ionotropic, NMDA 1 | Kd | = | 3000.0 | nM | 5.52 | Dissociation constant against N-methyl-D-aspartate glutamate receptor using [3H]... | 10866390 |
| Glutamate NMDA receptor | IC50 | = | 58000.0 | nM | 4.24 | NMDA receptor antagonistic activity was assessed in vitro by the assement of abi... | 2544728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2544728 | 10.1021/jm00127a030 | Glutamate NMDA receptor | 3 |
| 2544728 | 10.1021/jm00127a030 | Mus musculus | 2 |
| 1533422 | 10.1021/jm00086a004 | Glutamate NMDA receptor | 2 |
| 10866390 | 10.1016/s0960-894x(00)00197-9 | Glutamate receptor ionotropic, NMDA 1 | 1 |
Data from ChEMBL 36 via Core Engine