Compound Detail
CHEMBL161225
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Basic Information
| ChEMBL ID | CHEMBL161225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEJXHQIZSDVPSX-VAWYXSNFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
242.4
MW (Da)
3.89
ALogP
1
HBA
2
HBD
35.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | Ki | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors ... | 12639560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639560 | 10.1016/s0960-894x(02)01060-0 | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
Data from ChEMBL 36 via Core Engine