Compound Detail
CHEMBL4444367
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Basic Information
| ChEMBL ID | CHEMBL4444367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIHPOCPYPPMSQL-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
172.1
MW (Da)
-1.39
ALogP
6
HBA
3
HBD
114.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.46
Ki 2 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 4.49 | 4.48 | 32359.4 | 2 |
| Ionotropic glutamate receptor NMDA 1/2D CHEMBL3038506 | EC50 | 4.46 | 4.35 | 35000.0 | 2 |
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | EC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 32359.37 | nM | 4.49 | Displacement of [3H]CGP39653 from NMDA receptor in rat brain synaptic cortical m... | 30943028 |
| Glutamate NMDA receptor | Ki | = | 34000.0 | nM | 4.47 | Displacement of [3H]CGP39653 from NMDA receptor in rat brain synaptic cortical m... | 30943028 |
| Ionotropic glutamate receptor NMDA 1/2D | EC50 | = | 35000.0 | nM | 4.46 | Agonist activity at recombinant rat GluN1a/GluN2D expressed in Xenopus laevis oo... | 30943028 |
| Ionotropic glutamate receptor NMDA 1/2D | EC50 | = | 58000.0 | nM | 4.24 | Agonist activity at recombinant rat GluN1a/GluN2D expressed in Xenopus laevis oo... | 30943028 |
| Glutamate NMDA receptor; Grin1/Grin2c | EC50 | = | 90000.0 | nM | 4.05 | Agonist activity at recombinant rat GluN1a/GluN2C expressed in Xenopus laevis oo... | 30943028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30943028 | 10.1021/acs.jmedchem.8b01986 | Glutamate NMDA receptor; Grin1/Grin2a | 5 |
| 30943028 | 10.1021/acs.jmedchem.8b01986 | Glutamate NMDA receptor; Grin1/Grin2c | 5 |
| 30943028 | 10.1021/acs.jmedchem.8b01986 | Ionotropic glutamate receptor NMDA 1/2D | 5 |
| 30943028 | 10.1021/acs.jmedchem.8b01986 | Glutamate NMDA receptor; Grin1/Grin2b | 4 |
| 30943028 | 10.1021/acs.jmedchem.8b01986 | Glutamate NMDA receptor | 2 |
| 30943028 | 10.1021/acs.jmedchem.8b01986 | Glutamate receptor ionotropic, AMPA | 1 |
| 30943028 | 10.1021/acs.jmedchem.8b01986 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine