Compound Detail
CHEMBL60230
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 | CHEMBL60230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOAKFIJMFNBGQH-RVDMUPIBSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
3.31
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.47 | 4.79 | 3400.0 | 2 |
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3400.0 | nM | 5.47 | Antagonistic activity towards NMDA receptor 1A/2B subtype was determined | 9871654 |
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 3400.0 | nM | 5.47 | Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B. | 10464027 |
| Unchecked | IC50 | = | 78000.0 | nM | 4.11 | Antagonistic activity towards NMDA receptor 1A/2A subtype was determined | 9871654 |
| Glutamate NMDA receptor; Grin1/Grin2a | IC50 | = | 78000.0 | nM | 4.11 | Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2A. | 10464027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871654 | 10.1016/s0960-894x(97)10215-3 | Unchecked | 3 |
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
Data from ChEMBL 36 via Core Engine