Compound Detail
CHEMBL516194
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Basic Information
| ChEMBL ID | CHEMBL516194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPSSRMKDODSXFM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.29
ALogP
5
HBA
1
HBD
89.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.52
EC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.96 | 6.96 | 111.0 | 1 |
| Excitatory amino acid transporter 1 CHEMBL3085 | IC50 | 4.52 | 4.51 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 111.0 | nM | 6.96 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Excitatory amino acid transporter 1 | IC50 | = | 30000.0 | nM | 4.52 | Displacement of [3H]D-Asp from human EAAT1 receptor expressed in HEK293 cells | 19161278 |
| Excitatory amino acid transporter 1 | IC50 | = | 31622.78 | nM | 4.5 | 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