Compound Detail
CHEMBL1790043
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Basic Information
| ChEMBL ID | CHEMBL1790043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTFXYWCJECGAOX-STQMWFEESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
1.22
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 CHEMBL4973 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Excitatory amino acid transporter 3 CHEMBL2721 | IC50 | 5.19 | 5.19 | 6500.0 | 2 |
| Excitatory amino acid transporter 1 CHEMBL3085 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 | IC50 | = | 2200.0 | nM | 5.66 | Concentration required for blocking [14C]glutamate uptake in COS-1 cells express... | 11078189 |
| Excitatory amino acid transporter 3 | IC50 | = | 6500.0 | nM | 5.19 | Concentration required for blocking [14C]glutamate uptake in COS-1 cells express... | 11078189 |
| Excitatory amino acid transporter 3 | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of [14C]glutamate uptake at human EAAT3 expressed in african green mo... | 18650095 |
| Excitatory amino acid transporter 1 | IC50 | = | 16000.0 | nM | 4.8 | Concentration required for blocking [14C]glutamate uptake in COS-1 cells express... | 11078189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11078189 | 10.1016/s0960-894x(00)00487-x | Excitatory amino acid transporter 1 | 3 |
| 11078189 | 10.1016/s0960-894x(00)00487-x | Excitatory amino acid transporter 2 | 3 |
| 11078189 | 10.1016/s0960-894x(00)00487-x | Excitatory amino acid transporter 3 | 3 |
| 18650095 | 10.1016/j.bmc.2008.07.001 | Excitatory amino acid transporter 3 | 1 |
Data from ChEMBL 36 via Core Engine