Compound Detail
CHEMBL384474
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Basic Information
| ChEMBL ID | CHEMBL384474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRAFHGOPGVYULO-WISUUJSJSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
173.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 3 CHEMBL3504 | Ki | 6.48 | 5.93 | 330.0 | 2 |
| Excitatory amino acid transporter 2 CHEMBL4973 | Ki | 5.2 | 5.19 | 6309.6 | 2 |
| Excitatory amino acid transporter 3 CHEMBL2721 | Ki | 5.0 | 5.0 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 3 | Ki | = | 330.0 | nM | 6.48 | Binding affinity to full length rat GluA3 | 23414088 |
| Glutamate receptor 3 | Ki | = | 4200.0 | nM | 5.38 | Binding affinity to rat GluA3-LBD (GluK3-S1S2) | 23414088 |
| Excitatory amino acid transporter 2 | Ki | = | 6309.57 | nM | 5.2 | Inhibition of human EAAT2 expressed in HEK293 cells by FLIPR membrane potential ... | 17064071 |
| Excitatory amino acid transporter 2 | Ki | = | 6600.0 | nM | 5.18 | Inhibition of human EAAT2 expressed in HEK293 cells by FLIPR membrane potential ... | 17064071 |
| Excitatory amino acid transporter 3 | Ki | = | 10000.0 | nM | 5.0 | Inhibition of human EAAT3 expressed in HEK293 cells by FLIPR membrane potential ... | 17064071 |
| Excitatory amino acid transporter 3 | Ki | = | 10000.0 | nM | 5.0 | Inhibition of human EAAT3 expressed in HEK293 cells by FLIPR membrane potential ... | 17064071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064071 | 10.1021/jm060822s | Excitatory amino acid transporter 2 | 2 |
| 17064071 | 10.1021/jm060822s | Excitatory amino acid transporter 3 | 2 |
| 17064071 | 10.1021/jm060822s | Unchecked | 2 |
| 23414088 | 10.1021/jm301433m | Glutamate receptor 3 | 2 |
| 17064071 | 10.1021/jm060822s | Excitatory amino acid transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine