Compound Detail
CHEMBL339570
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Basic Information
| ChEMBL ID | CHEMBL339570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFLMEDYILBVTLD-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
4.36
ALogP
2
HBA
2
HBD
56.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 6.45 | 6.45 | 359.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | IC50 | 6.45 | 6.255 | 359.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 24.0 | nM | 7.62 | Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intrace... | 14552795 |
| Glutamate [NMDA] receptor | IC50 | = | 359.0 | nM | 6.45 | Inhibition of [3H]Ro-256981 binding to N-methyl-D-aspartate glutamate receptor | 14552795 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 359.0 | nM | 6.45 | Displacement of [3H]Ro 25,6981 from NR2B NMDA receptor in rat forebrain | 17290978 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 875.0 | nM | 6.06 | Antagonist activity at NR2B NMDA receptor in Wistar rat neocortical cells assess... | 17290978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17290978 | 10.1021/jm060420k | Glutamate receptor ionotropic, NMDA 2B | 2 |
| 14552795 | 10.1016/s0960-894x(03)00708-x | Glutamate [NMDA] receptor | 1 |
| 14552795 | 10.1016/s0960-894x(03)00708-x | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
Data from ChEMBL 36 via Core Engine