Compound Detail
CHEMBL4464831
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Basic Information
| ChEMBL ID | CHEMBL4464831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COTAYYRQWKOPQT-GFCCVEGCSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.9
MW (Da)
2.45
ALogP
5
HBA
2
HBD
98.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL3442 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.4 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 129.5 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 6.31 | nM | 8.2 | Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressi... | 30833109 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 31.62 | nM | 7.5 | Displacement of [3H]-ifenprodil from NR2B receptor in rat brain cerebral cortex ... | 30833109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30833109 | 10.1016/j.bmcl.2019.02.017 | Glutamate receptor ionotropic, NMDA 2B | 2 |
| 30833109 | 10.1016/j.bmcl.2019.02.017 | ADMET | 2 |
| 30833109 | 10.1016/j.bmcl.2019.02.017 | Rattus norvegicus | 2 |
| 30833109 | 10.1016/j.bmcl.2019.02.017 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine