Compound Detail
CHEMBL3633210
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Basic Information
| ChEMBL ID | CHEMBL3633210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCQJTGTYLDIXSS-IAGOWNOFSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
2.84
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.15
Ki 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2A CHEMBL1907604 | IC50 | 7.15 | 7.15 | 71.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.05 | 6.05 | 893.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2A | IC50 | = | 71.2 | nM | 7.15 | Antagonist activity against NR1-1a/NR2A NMDA receptor (unknown origin) expressed... | 26430967 |
| Unchecked | Ki | = | 893.0 | nM | 6.05 | Displacement of [3H]MK801 from NMDA receptor PCP binding site in guinea pig brai... | 26430967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26430967 | 10.1021/acs.jmedchem.5b01214 | Unchecked | 2 |
| 26430967 | 10.1021/acs.jmedchem.5b01214 | Sigma non-opioid intracellular receptor 1 | 1 |
| 26430967 | 10.1021/acs.jmedchem.5b01214 | Glutamate NMDA receptor; GRIN1/GRIN2A | 1 |
Data from ChEMBL 36 via Core Engine