Compound Detail
CHEMBL192554
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL192554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKJGSRHYDOGGLB-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
1.31
ALogP
6
HBA
1
HBD
80.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095167 | Ki | 8.43 | 8.43 | 3.8 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111327 | Ki | 7.84 | 7.84 | 14.3 | 1 |
| GABA A receptor alpha-5/beta-3/gamma-2 CHEMBL2111374 | Ki | 7.76 | 7.76 | 17.2 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 7.3 | 7.3 | 49.8 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.97 | 5.97 | 1070.5 | 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