Compound Detail
CHEMBL2348221
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Basic Information
| ChEMBL ID | CHEMBL2348221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGPCGYBGJFZOPY-WUPIGMTISA-N |
| Parent Compound | CHEMBL2365799 |
| Active Moiety | CHEMBL2365799 |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
-0.10
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.1
Ki 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 7.21 | 7.21 | 61.0 | 1 |
| Ionotropic glutamate receptor NMDA 1/2D CHEMBL3038506 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | EC50 | 6.57 | 6.57 | 272.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | EC50 | 6.27 | 6.27 | 540.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.21 | 6.21 | 610.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | EC50 | 5.93 | 5.93 | 1180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 61.0 | nM | 7.21 | Displacement of [3H]CGP39653 from NMDA receptor in rat cortical synaptosomes | 23614571 |
| Ionotropic glutamate receptor NMDA 1/2D | EC50 | = | 80.0 | nM | 7.1 | Agonist activity at rat recombinant wild type GluN1/GluN2D receptor expressed in... | 23614571 |
| Glutamate NMDA receptor; Grin1/Grin2b | EC50 | = | 272.0 | nM | 6.57 | Agonist activity at rat recombinant wild type GluN1/GluN2B receptor expressed in... | 23614571 |
| Glutamate NMDA receptor; Grin1/Grin2c | EC50 | = | 540.0 | nM | 6.27 | Agonist activity at rat recombinant wild type GluN1/GluN2C receptor expressed in... | 23614571 |
| Unchecked | Ki | = | 610.0 | nM | 6.21 | Displacement of [3H]KA from KA receptor in rat cortical synaptosomes | 23614571 |
| Glutamate NMDA receptor; Grin1/Grin2a | EC50 | = | 1180.0 | nM | 5.93 | Agonist activity at rat recombinant wild type GluN1/GluN2A receptor expressed in... | 23614571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23614571 | 10.1021/jm400346a | Ionotropic glutamate receptor NMDA 1/2D | 2 |
| 23614571 | 10.1021/jm400346a | Glutamate NMDA receptor; Grin1/Grin2c | 2 |
| 23614571 | 10.1021/jm400346a | Glutamate NMDA receptor; Grin1/Grin2b | 2 |
| 23614571 | 10.1021/jm400346a | Glutamate NMDA receptor; Grin1/Grin2a | 2 |
| 23614571 | 10.1021/jm400346a | Unchecked | 2 |
| 23614571 | 10.1021/jm400346a | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine