Compound Detail
CHEMBL217407
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Basic Information
| ChEMBL ID | CHEMBL217407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRAFHGOPGVYULO-WDCZJNDASA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
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 4 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 CHEMBL4973 | Ki | 4.7 | 4.68 | 19952.6 | 2 |
| Excitatory amino acid transporter 3 CHEMBL2721 | Ki | 4.31 | 4.305 | 49000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 | Ki | = | 19952.62 | nM | 4.7 | Inhibition of human EAAT2 expressed in HEK293 cells by FLIPR membrane potential ... | 17064071 |
| Excitatory amino acid transporter 2 | Ki | = | 22000.0 | nM | 4.66 | Inhibition of human EAAT2 expressed in HEK293 cells by FLIPR membrane potential ... | 17064071 |
| Excitatory amino acid transporter 3 | Ki | = | 49000.0 | nM | 4.31 | Inhibition of human EAAT3 expressed in HEK293 cells by FLIPR membrane potential ... | 17064071 |
| Excitatory amino acid transporter 3 | Ki | = | 50118.72 | nM | 4.3 | 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 1 | 3 |
| 17064071 | 10.1021/jm060822s | Excitatory amino acid transporter 2 | 2 |
| 17064071 | 10.1021/jm060822s | Excitatory amino acid transporter 3 | 2 |
Data from ChEMBL 36 via Core Engine