Compound Detail
CHEMBL158874
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL158874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEXBAJSBFNYKJO-VAWYXSNFSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
3.47
ALogP
1
HBA
2
HBD
35.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.05
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 8.05 | 8.05 | 9.0 | 2 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors ... | 12639560 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 9.0 | nM | 8.05 | Displacement of NMDA receptor-specific [3H]ifenprodil binding to recombinant hum... | 12639561 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]ifenprodil from GluN2B receptor (unknown origin) | 24412068 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 70.0 | nM | 7.16 | Inhibition of the response to glutamate/glycine in NR1a/NR2B expressing cells | 12639560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639560 | 10.1016/s0960-894x(02)01060-0 | Glutamate NMDA receptor; GRIN1/GRIN2B | 3 |
| 12639561 | 10.1016/s0960-894x(02)01061-2 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 24412068 | 10.1016/j.bmcl.2013.12.087 | Glutamate receptor ionotropic, NMDA 2B | 1 |
Data from ChEMBL 36 via Core Engine