Compound Detail
CHEMBL158737
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Basic Information
| ChEMBL ID | CHEMBL158737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYJKWRHOJBQQMG-VAWYXSNFSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
3.27
ALogP
2
HBA
1
HBD
47.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.18
Ki 2 meas. best 9.15
Kd 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.18 | 8.18 | 6.6 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 4.58 | 4.56 | 26000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors ... | 12639560 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 0.7 | nM | 9.15 | Displacement of NMDA receptor-specific [3H]ifenprodil binding to recombinant hum... | 12639561 |
| Glutamate receptor ionotropic, NMDA 2B | Kd | = | 1.0 | nM | 9.0 | Binding affinity towards human NR2B receptor | 12639561 |
| Glutamate NMDA receptor | IC50 | = | 6.6 | nM | 8.18 | Inhibition of NMDA-evoked intracellular calcium increase in rat cortical cells | 16213709 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 26000.0 | nM | 4.58 | Selectivity for inhibition of the response to glutamate/glycine in NR1a/NR2A exp... | 12639560 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 28600.0 | nM | 4.54 | Selectivity for inhibition of the response to glutamate/glycine in NR1a/NR2B exp... | 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 | 2 |
| 16213709 | 10.1016/j.bmcl.2005.08.110 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine