Compound Detail
CHEMBL28885
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Basic Information
| ChEMBL ID | CHEMBL28885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFZGUGJDVUUGLK-REOHCLBHSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
-1.78
ALogP
5
HBA
3
HBD
126.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.58
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystine/glutamate transporter CHEMBL1075149 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Excitatory amino acid transporter 3 CHEMBL2721 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
| Excitatory amino acid transporter 1 CHEMBL3085 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystine/glutamate transporter | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of amino acid transport system xc- | 20303751 |
| Excitatory amino acid transporter 1 | IC50 | = | 100000.0 | nM | 4.0 | Displacement of [3H]D-Asp from human EAAT1 receptor expressed in HEK293 cells | 19161278 |
| Excitatory amino acid transporter 3 | IC50 | = | 100000.0 | nM | 4.0 | Displacement of [3H]D-Asp from human EAAT3 receptor expressed in HEK293 cells | 19161278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80515-6 | 4-aminobutyrate aminotransferase, mitochondrial | 2 |
| 17567119 | 10.1021/jm070133w | Glutamate carboxypeptidase 2 | 1 |
| 19161278 | 10.1021/jm8013458 | Excitatory amino acid transporter 1 | 1 |
| 19161278 | 10.1021/jm8013458 | Excitatory amino acid transporter 3 | 1 |
| 20303751 | 10.1016/j.bmcl.2009.10.020 | Cystine/glutamate transporter | 1 |
Data from ChEMBL 36 via Core Engine