Compound Detail
CHEMBL1192583
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Basic Information
| ChEMBL ID | CHEMBL1192583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEGDFKOGLTVGEE-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
1.02
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
Ki 2 meas. best 4.43
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.43 | 4.43 | 37000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 37153.52 | nM | 4.43 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain mem... | - |
| Unchecked | Ki | = | 37000.0 | nM | 4.43 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain mem... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0583-7 | Unchecked | 2 |
| 24900876 | 10.1021/ml400526d | Plasminogen | 1 |
| 24900876 | 10.1021/ml400526d | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine