Compound Detail
CHEMBL113936
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 | CHEMBL113936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXUWVXZRYBGRBW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
3.52
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL2015 | IC50 | 5.75 | 4.995 | 1800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 1800.0 | nM | 5.75 | Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA e... | 10978188 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 57000.0 | nM | 4.24 | Concentration required for 50% Inhibition of responses at cloned NR1A/2A NMDA ex... | 10978188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10978188 | 10.1021/jm000023o | Glutamate receptor ionotropic, NMDA 1 | 2 |
| 10978188 | 10.1021/jm000023o | Glutamate receptor ionotropic, NMDA 2C | 1 |
Data from ChEMBL 36 via Core Engine