Compound Detail
CHEMBL144416
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Basic Information
| ChEMBL ID | CHEMBL144416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PACUXLHRGQUIQZ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
1.16
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen CHEMBL1801 | IC50 | 5.7 | 5.47 | 2000.0 | 2 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasminogen | IC50 | = | 2000.0 | nM | 5.7 | Binding affinity to full length Glu-plasminogen in human plasma assessed as inhi... | 24900876 |
| Plasminogen | IC50 | = | 5700.0 | nM | 5.24 | Binding affinity to human full length Glu-plasminogen in buffer assessed as inhi... | 24900876 |
| GABA-A receptor; anion channel | Ki | = | 10000.0 | nM | 5.0 | In vitro inhibition of [3H]muscimol to rat brain synaptic membranes | 11150163 |
| GABA-A receptor; anion channel | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of Gamma-aminobutyric acid A (GABA-A) receptor in vitro by whole-cell... | 11150163 |
| Unchecked | IC50 | = | 51000.0 | nM | 4.29 | Displacement of [3H]-muscimol from GABAA receptor in Sprague-Dawley rat brain me... | 24900876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150163 | 10.1021/jm000371q | GABA-A receptor; anion channel | 2 |
| 24900876 | 10.1021/ml400526d | Plasminogen | 2 |
| 24900876 | 10.1021/ml400526d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine