Compound Detail
CHEMBL451114
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Basic Information
| ChEMBL ID | CHEMBL451114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYORIGWCMGDEFO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
3.90
ALogP
5
HBA
1
HBD
85.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Excitatory amino acid transporter 1 CHEMBL3085 | IC50 | 5.64 | 5.64 | 2290.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Excitatory amino acid transporter 1 | IC50 | = | 2300.0 | nM | 5.64 | Displacement of [3H]D-Asp from human EAAT1 receptor expressed in HEK293 cells | 19161278 |
| Excitatory amino acid transporter 1 | IC50 | = | 2290.87 | nM | 5.64 | Displacement of [3H]D-Asp from human EAAT1 receptor expressed in HEK293 cells | 19161278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19161278 | 10.1021/jm8013458 | Excitatory amino acid transporter 1 | 2 |
| 19161278 | 10.1021/jm8013458 | Excitatory amino acid transporter 2 | 2 |
| 19161278 | 10.1021/jm8013458 | Excitatory amino acid transporter 3 | 2 |
Data from ChEMBL 36 via Core Engine