Compound Detail
CHEMBL1627032
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O=C(NCc1ccccc1)OCc1cn(-c2cc3nc(C(=O)[O-])c(=O)[nH]c3cc2[N+](=O)[O-])cn1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL1627032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRCNTIDSBAALME-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1205565 |
| Active Moiety | CHEMBL1205565 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.4
MW (Da)
2.14
ALogP
9
HBA
3
HBD
182.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | Ki | = | 67.0 | nM | 7.17 | Binding affinity for ionotropic glutamate receptor AMPA using [3H]AMPA as radiol... | 14505662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505662 | 10.1016/s0960-894x(03)00740-6 | Glutamate receptor ionotropic, AMPA | 1 |
| 14505662 | 10.1016/s0960-894x(03)00740-6 | Glutamate receptors; NMDA/AMPA | 1 |
Data from ChEMBL 36 via Core Engine