Compound Detail
CHEMBL5594077
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Basic Information
| ChEMBL ID | CHEMBL5594077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVHKGQDQDUUSAE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
1.79
ALogP
7
HBA
0
HBD
63.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 CHEMBL4973 | EC50 | 9.05 | 9.05 | 0.9 | 1 |
| Excitatory amino acid transporter 3 CHEMBL2721 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
| Excitatory amino acid transporter 1 CHEMBL3085 | EC50 | 8.56 | 8.56 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 | EC50 | = | 0.9 | nM | 9.05 | Positive allosteric modulation of EAAT2 (unknown origin) transfected in African ... | 38626917 |
| Excitatory amino acid transporter 3 | EC50 | = | 2.5 | nM | 8.6 | Positive allosteric modulation of EAAT3 (unknown origin) transfected in African ... | 38626917 |
| Excitatory amino acid transporter 1 | EC50 | = | 2.75 | nM | 8.56 | Positive allosteric modulation of EAAT1 (unknown origin) transfected in African ... | 38626917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38626917 | 10.1021/acs.jmedchem.3c01909 | Excitatory amino acid transporter 3 | 1 |
| 38626917 | 10.1021/acs.jmedchem.3c01909 | Excitatory amino acid transporter 1 | 1 |
| 38626917 | 10.1021/acs.jmedchem.3c01909 | Excitatory amino acid transporter 2 | 1 |
| 38626917 | 10.1021/acs.jmedchem.3c01909 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine