Compound Detail
CHEMBL602962
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Basic Information
| ChEMBL ID | CHEMBL602962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDNMYUBSFDGCSX-YFKPBYRVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
-0.36
ALogP
5
HBA
3
HBD
126.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 1 CHEMBL2009 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
| Glutamate receptor 3 CHEMBL3595 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 1 | EC50 | = | 270.0 | nM | 6.57 | Agonist activity at recombinant GluA1 receptor flop isoform expressed in Xenopus... | 20096591 |
| Glutamate receptor 3 | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at recombinant GluA3 receptor flop isoform expressed in Xenopus... | 20096591 |
| Unchecked | EC50 | = | 1700.0 | nM | 5.77 | Agonist activity at recombinant GluA4 receptor flop isoform expressed in Xenopus... | 20096591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19932968 | 10.1016/j.bmc.2009.11.001 | Cystine/glutamate transporter | 1 |
| 20096591 | 10.1016/j.bmc.2009.12.072 | Glutamate receptor 3 | 1 |
| 20096591 | 10.1016/j.bmc.2009.12.072 | Glutamate receptor 1 | 1 |
| 20096591 | 10.1016/j.bmc.2009.12.072 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine