Compound Detail
CHEMBL5563987
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Basic Information
| ChEMBL ID | CHEMBL5563987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACOGGJLCVQODGT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6069945 |
| Active Moiety | CHEMBL6069945 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
4.52
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | Ki | 7.37 | 7.37 | 42.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 42.93 | nM | 7.37 | Displacement of [3H]ifenprodil from rat GluN2B assessed as inhibition constant m... | 38413367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38413367 | 10.1021/acs.jmedchem.3c01524 | Glutamate receptor ionotropic, NMDA 2B | 1 |
Data from ChEMBL 36 via Core Engine