Compound Detail
CHEMBL4168402
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4168402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKJQOALDDUBRBV-BPGUCPLFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.93
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | Ki | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 7.7 | nM | 8.11 | 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