Compound Detail
CHEMBL2441067
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Basic Information
| ChEMBL ID | CHEMBL2441067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLTMTBPCYAZIKM-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
1.04
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.56
Kd 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | EC50 | 6.56 | 6.56 | 275.4 | 1 |
| Glutamate receptor 2 CHEMBL4016 | Kd | 6.46 | 6.46 | 350.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 6.46 | 6.46 | 350.0 | 1 |
| Glutamate receptor 2 CHEMBL4016 | EC50 | 6.09 | 6.09 | 810.0 | 2 |
| Glutamate receptor 2 CHEMBL3503 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA | EC50 | = | 275.42 | nM | 6.56 | Positive allosteric modulation at AMPAR in HEK293 cells expressing GluA2Q assess... | 36863228 |
| Unchecked | Kd | = | 350.0 | nM | 6.46 | Binding affinity to rat LBD of GluA2 receptor L483Y and N754S mutant at 243 uM b... | 24131202 |
| Glutamate receptor 2 | Kd | = | 350.0 | nM | 6.46 | Binding affinity to GluA2-LBD-L483Y-N754S complex (unknown origin) by isothermal... | 25375781 |
| Glutamate receptor 2 | EC50 | = | 812.83 | nM | 6.09 | Positive allosteric modulation of GluA2 (Q) flop isoform (unknown origin) expres... | 29256599 |
| Glutamate receptor 2 | EC50 | = | 810.0 | nM | 6.09 | Positive allosteric modulation of GluA2 (Q) flop isoform (unknown origin) expres... | 29256599 |
| Glutamate receptor 2 | EC50 | = | 900.0 | nM | 6.05 | Positive allosteric modulation of GluA2 receptor in rat embryonic cortex neuron ... | 24131202 |
| Unchecked | EC50 | = | 900.0 | nM | 6.05 | Positive allosteric modulation of AMPA receptor in rat embryonic cortex primary ... | 25375781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 7 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 5 |
| 25375781 | 10.1021/jm501268r | Unchecked | 4 |
| 24131202 | 10.1021/jm4012092 | Glutamate receptor 2 | 3 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 3 |
| 36863228 | 10.1016/j.ejmech.2023.115221 | Glutamate receptor ionotropic, AMPA | 3 |
| 29256599 | 10.1021/acs.jmedchem.7b01323 | Glutamate receptor 2 | 2 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| 24131202 | 10.1021/jm4012092 | Unchecked | 1 |
| - | 10.6019/CHEMBL5665443 | N-glycosylase/DNA lyase | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease III-like protein 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| 38101041 | 10.1016/j.ejmech.2023.116036 | Glutamate receptor ionotropic, AMPA | 1 |
| 38101041 | 10.1016/j.ejmech.2023.116036 | Glutamate receptor ionotropic AMPA | 1 |
| 36863228 | 10.1016/j.ejmech.2023.115221 | Glutamate receptor ionotropic AMPA | 1 |
| 29256599 | 10.1021/acs.jmedchem.7b01323 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine