Compound Detail
CHEMBL5595448
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O=C([O-])c1ccccc1C(O)CCCN1CCN(C(=O)C2Cc3cccc(Cl)c3N2)CC1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL5595448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLAAZJHGRHGARO-UHFFFAOYSA-M |
| Parent Compound | CHEMBL6068881 |
| Active Moiety | CHEMBL6068881 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.0
MW (Da)
3.03
ALogP
5
HBA
3
HBD
93.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | Ki | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 1.28 | nM | 8.89 | 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