Compound Detail
CHEMBL4115649
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Cc1ccc(CN2CC[C@@H](N3CC[C@H](c4ccc(O)cc4)[C@@H](F)C3)C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL4115649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNVYDSCXINFREZ-BHIFYINESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
3.63
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | Ki | 8.37 | 8.37 | 4.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 4.3 | nM | 8.37 | Radioligand Binding Assay: To perform the competition binding assay, thawed memb... | - |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 4.3 | nM | 8.37 | Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebr... | 29795762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29795762 | 10.1021/acsmedchemlett.8b00080 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 29795762 | 10.1021/acsmedchemlett.8b00080 | Mus musculus | 1 |
| 29795762 | 10.1021/acsmedchemlett.8b00080 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 29795762 | 10.1021/acsmedchemlett.8b00080 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine