Compound Detail
CHEMBL13018
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O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CNC(=O)NCCc4ccncc4)c3)cc21
Basic Information
| ChEMBL ID | CHEMBL13018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZRSJUXQYXKNIW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.5
MW (Da)
0.91
ALogP
9
HBA
4
HBD
194.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | Ki | 7.02 | 7.02 | 95.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA | Ki | = | 95.0 | nM | 7.02 | Displacement of [3H]AMPA from AMPA receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00170-4 | Glutamate receptor ionotropic AMPA | 1 |
Data from ChEMBL 36 via Core Engine