Compound Detail
CHEMBL5569595
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Basic Information
| ChEMBL ID | CHEMBL5569595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLLOEQVZSCQEOQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.9
MW (Da)
3.98
ALogP
5
HBA
2
HBD
85.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.74
Ki 1 meas. best 8.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | Ki | 8.95 | 8.95 | 1.1 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 1.12 | nM | 8.95 | Displacement of [3H]ifenprodil from rat GluN2B assessed as inhibition constant m... | 38413367 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 183.04 | nM | 6.74 | Antagonist activity at GluN1/GluN2B receptor (unknown origin) expressed in HEK29... | 38413367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38413367 | 10.1021/acs.jmedchem.3c01524 | Glutamate NMDA receptor; GRIN1/GRIN2B | 2 |
| 38413367 | 10.1021/acs.jmedchem.3c01524 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 38413367 | 10.1021/acs.jmedchem.3c01524 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine