Compound Detail
CHEMBL1790044
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Basic Information
| ChEMBL ID | CHEMBL1790044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDQLAEMVGNHRBH-HRFVKAFMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
163.1
MW (Da)
-1.50
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 CHEMBL4973 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Excitatory amino acid transporter 3 CHEMBL2721 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
| Excitatory amino acid transporter 1 CHEMBL3085 | IC50 | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 | IC50 | = | 2000.0 | nM | 5.7 | Concentration required for blocking [14C]glutamate uptake in COS-1 cells express... | 11078189 |
| Excitatory amino acid transporter 3 | IC50 | = | 8400.0 | nM | 5.08 | Concentration required for blocking [14C]glutamate uptake in COS-1 cells express... | 11078189 |
| Excitatory amino acid transporter 1 | IC50 | = | 69000.0 | nM | 4.16 | 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 |
Data from ChEMBL 36 via Core Engine