Compound Detail
CHEMBL310814
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CCOC(=O)c1ccc(NC(=O)NCc2ccn(-c3cc4nc(O)c(O)nc4cc3C(F)(F)F)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL310814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BICPPLXRHOQXDM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.5
MW (Da)
4.35
ALogP
8
HBA
4
HBD
138.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA | Ki | = | 450.0 | nM | 6.35 | In vitro binding affinity against AMPA receptor by [3H]AMPA displacement. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00428-9 | Glutamate receptor ionotropic AMPA | 1 |
Data from ChEMBL 36 via Core Engine