Compound Detail
CHEMBL5422471
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Basic Information
| ChEMBL ID | CHEMBL5422471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JENKZNPGAZCACK-RYUDHWBXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
0.42
ALogP
5
HBA
4
HBD
138.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 CHEMBL4973 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Excitatory amino acid transporter 3 CHEMBL2721 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human EAAT2 transfected in MDCK cells assessed as reduction in [14... | 36787643 |
| Excitatory amino acid transporter 3 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of human EAAT3 transfected in MDCK cells assessed as reduction in [14... | 36787643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36787643 | 10.1021/acs.jmedchem.2c01572 | Excitatory amino acid transporter 2 | 1 |
| 36787643 | 10.1021/acs.jmedchem.2c01572 | Excitatory amino acid transporter 3 | 1 |
| 36787643 | 10.1021/acs.jmedchem.2c01572 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine