Compound Detail
CHEMBL12761
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O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CNC(=O)Nc4ccccc4)c3)cc21
Basic Information
| ChEMBL ID | CHEMBL12761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBBCCRSHNIGAHB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
1.79
ALogP
8
HBA
4
HBD
181.4
PSA (Ų)
0.18
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | Ki | 7.15 | 7.15 | 71.0 | 1 |
| Glutamate receptor ionotropic kainate CHEMBL2109241 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA | Ki | = | 71.0 | nM | 7.15 | Displacement of [3H]AMPA from AMPA receptor | - |
| Glutamate receptor ionotropic kainate | Ki | = | 2600.0 | nM | 5.58 | Ability to displace [3H]kainate from kainate receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00170-4 | Glutamate receptor ionotropic AMPA | 1 |
| - | 10.1016/S0960-894X(97)00170-4 | Glutamate receptor ionotropic, NMDA 2C | 1 |
| - | 10.1016/S0960-894X(97)00170-4 | Glutamate receptor ionotropic kainate | 1 |
| - | 10.1016/S0960-894X(97)00170-4 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine