Compound Detail
CHEMBL4068612
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Basic Information
| ChEMBL ID | CHEMBL4068612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOLDDLWTNMBMID-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
480.0
MW (Da)
6.20
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | EC50 | 6.05 | 6.025 | 900.0 | 2 |
| Ionotropic glutamate receptor NMDA 1/2D CHEMBL3038506 | EC50 | 5.9 | 5.875 | 1258.9 | 2 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c | EC50 | = | 900.0 | nM | 6.05 | Positive allosteric modulation of recombinant rat GluN1/GluN2C receptor expresse... | 28586221 |
| Glutamate NMDA receptor; Grin1/Grin2c | EC50 | = | 1000.0 | nM | 6.0 | Positive allosteric modulation of recombinant rat GluN1a/GluN2C receptor express... | 32538088 |
| Ionotropic glutamate receptor NMDA 1/2D | EC50 | = | 1258.93 | nM | 5.9 | Positive allosteric modulation of recombinant rat GluN1a/GluN2D receptor express... | 32538088 |
| Ionotropic glutamate receptor NMDA 1/2D | EC50 | = | 1400.0 | nM | 5.85 | Positive allosteric modulation of recombinant rat GluN1/GluN2D receptor expresse... | 28586221 |
| Glutamate NMDA receptor; Grin1/Grin2b | EC50 | = | 1500.0 | nM | 5.82 | Positive allosteric modulation of recombinant rat GluN1/GluN2B receptor expresse... | 28586221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28586221 | 10.1021/acs.jmedchem.7b00239 | Glutamate NMDA receptor; Grin1/Grin2b | 3 |
| 28586221 | 10.1021/acs.jmedchem.7b00239 | Glutamate NMDA receptor; Grin1/Grin2c | 3 |
| 28586221 | 10.1021/acs.jmedchem.7b00239 | Ionotropic glutamate receptor NMDA 1/2D | 3 |
| 32538088 | 10.1021/acs.jmedchem.9b01733 | Glutamate NMDA receptor; Grin1/Grin2c | 3 |
| 32538088 | 10.1021/acs.jmedchem.9b01733 | Ionotropic glutamate receptor NMDA 1/2D | 3 |
| 32538088 | 10.1021/acs.jmedchem.9b01733 | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 32538088 | 10.1021/acs.jmedchem.9b01733 | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
Data from ChEMBL 36 via Core Engine