Compound Detail
CHEMBL58027
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Basic Information
| ChEMBL ID | CHEMBL58027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKBDKDBPUAZQBT-SFYZADRCSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
1.07
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 6.57 | 6.57 | 267.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | Ki | 4.39 | 4.39 | 41152.0 | 1 |
| Excitatory amino acid transporter 2 CHEMBL4973 | Ki | 4.17 | 4.14 | 67608.3 | 2 |
| Excitatory amino acid transporter 3 CHEMBL2721 | Ki | 4.06 | 4.035 | 87096.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 267.0 | nM | 6.57 | Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 ... | 10821708 |
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 41152.0 | nM | 4.39 | Binding affinity against human ionotropic glutamate receptor ionotropic kainate ... | 10821708 |
| Excitatory amino acid transporter 2 | Ki | = | 67608.3 | nM | 4.17 | Binding affinity to human EAAT2 expressed in HEK293 cells in FMP (FLPR) assay | 16335922 |
| Excitatory amino acid transporter 2 | Ki | = | 77000.0 | nM | 4.11 | Binding affinity to human EAAT2 expressed in HEK293 cells in FMP (FLPR) assay | 16335922 |
| Excitatory amino acid transporter 3 | Ki | = | 87096.36 | nM | 4.06 | Binding affinity to human EAAT3 expressed in HEK293 cells in FMP (FLPR) assay | 16335922 |
| Excitatory amino acid transporter 3 | Ki | = | 98000.0 | nM | 4.01 | Binding affinity to human EAAT3 expressed in HEK293 cells in FMP (FLPR) assay | 16335922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16335922 | 10.1021/jm050597z | Excitatory amino acid transporter 2 | 2 |
| 16335922 | 10.1021/jm050597z | Excitatory amino acid transporter 3 | 2 |
| 16335922 | 10.1021/jm050597z | Excitatory amino acid transporter 1 | 2 |
| 10821708 | 10.1021/jm9911682 | Glutamate receptor ionotropic, kainate 1 | 1 |
| 10821708 | 10.1021/jm9911682 | Glutamate receptor ionotropic, kainate 2 | 1 |
| 10821708 | 10.1021/jm9911682 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine