Compound Detail
CHEMBL192555
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Basic Information
| ChEMBL ID | CHEMBL192555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFLBRINMIQTFNB-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
1.30
ALogP
5
HBA
1
HBD
71.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095167 | Ki | 8.04 | 8.04 | 9.1 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| GABA A receptor alpha-5/beta-3/gamma-2 CHEMBL2111374 | Ki | 7.62 | 7.62 | 24.1 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111327 | Ki | 7.56 | 7.56 | 27.6 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 7.04 | 7.04 | 91.2 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.47 | 6.47 | 339.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828832 | 10.1021/jm0408722 | GABA-A receptor; anion channel | 1 |
| 15828832 | 10.1021/jm0408722 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 15828832 | 10.1021/jm0408722 | GABA A receptor alpha-2/beta-2/gamma-2 | 1 |
| 15828832 | 10.1021/jm0408722 | GABA A receptor alpha-5/beta-3/gamma-2 | 1 |
| 17927167 | 10.1021/jm0708376 | Adenosine receptor A1 | 1 |
| 17927167 | 10.1021/jm0708376 | Adenosine receptor A2a | 1 |
| 17927167 | 10.1021/jm0708376 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine