Compound Detail
CHEMBL322697
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Basic Information
| ChEMBL ID | CHEMBL322697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMMHTJXRNKRNHM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.89
ALogP
6
HBA
1
HBD
50.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094107 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095167 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| GABA A receptor alpha-3/beta-2/gamma-2 CHEMBL2111343 | Ki | 6.71 | 6.71 | 196.0 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111327 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| GABA A receptor alpha-5/beta-3/gamma-2 CHEMBL2111374 | Ki | 6.65 | 6.65 | 223.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12519068 | 10.1021/jm020999w | Mus musculus | 10 |
| 12519068 | 10.1021/jm020999w | GABA-A receptor; anion channel | 3 |
| 12519068 | 10.1021/jm020999w | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 12519068 | 10.1021/jm020999w | GABA A receptor alpha-2/beta-2/gamma-2 | 1 |
| 12519068 | 10.1021/jm020999w | GABA A receptor alpha-3/beta-2/gamma-2 | 1 |
| 12519068 | 10.1021/jm020999w | GABA A receptor alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine