Compound Detail
CHEMBL411612
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Basic Information
| ChEMBL ID | CHEMBL411612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MALNTEMXARBOND-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
0.90
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.25
EC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 2 CHEMBL4016 | Kd | 5.25 | 5.25 | 5600.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.25 | 5.25 | 5600.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 5600.0 | nM | 5.25 | Binding affinity to rat LBD of GluA2 receptor L483Y and N754S mutant at 243 uM b... | 24131202 |
| Glutamate receptor 2 | Kd | = | 5600.0 | nM | 5.25 | Binding affinity to GluA2-LBD-L483Y-N754S complex (unknown origin) by isothermal... | 25375781 |
| Unchecked | EC50 | = | 33000.0 | nM | 4.48 | Activity at Wistar rat cortex AMPA receptor expressed in Xenopus laevis oocytes ... | 17552506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17552506 | 10.1021/jm070120i | Unchecked | 4 |
| 17552506 | 10.1021/jm070120i | Hippocampus | 4 |
| 18980844 | 10.1016/j.bmc.2008.10.036 | Unchecked | 3 |
| 20108934 | 10.1021/jm901495t | Oocyte | 2 |
| 24131202 | 10.1021/jm4012092 | Unchecked | 1 |
| 25375781 | 10.1021/jm501268r | Glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine