Compound Detail
CHEMBL105895
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Basic Information
| ChEMBL ID | CHEMBL105895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYKCWZCBSTWWEB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
358.8
MW (Da)
2.00
ALogP
9
HBA
1
HBD
107.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.64
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 5.64 | 5.64 | 2300.0 | 2 |
| Mus musculus CHEMBL375 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | Ki | = | 2300.0 | nM | 5.64 | Compound was evaluated for inhibition of binding of [3H]AMPA to specific binding... | 11052786 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 2300.0 | nM | 5.64 | Binding affinity at ionotropic glutamate receptor AMPA in rat cortical membranes... | 11543685 |
| Mus musculus | IC50 | = | 22000.0 | nM | 4.66 | Ability to inhibit depolarizations induced by AMPA in mouse cortical wedge prepa... | 11052786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052786 | 10.1021/jm0009686 | Mus musculus | 2 |
| 11052786 | 10.1021/jm0009686 | Glutamate receptor ionotropic, AMPA | 1 |
| 11052786 | 10.1021/jm0009686 | Unchecked | 1 |
| 11052786 | 10.1021/jm0009686 | Glutamate receptor ionotropic, kainate | 1 |
| 11543685 | 10.1021/jm010862q | Glutamate receptor ionotropic, AMPA | 1 |
| 11543685 | 10.1021/jm010862q | Glutamate NMDA receptor | 1 |
| 11543685 | 10.1021/jm010862q | Glutamate receptor ionotropic, kainate | 1 |
Data from ChEMBL 36 via Core Engine