Compound Detail
CHEMBL222316
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Basic Information
| ChEMBL ID | CHEMBL222316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFNPFJOEAUFBBY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
2.18
ALogP
4
HBA
2
HBD
105.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095167 | Ki | 6.9 | 6.9 | 125.0 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111327 | Ki | 6.26 | 6.26 | 553.0 | 1 |
| GABA A receptor alpha-5/beta-3/gamma-2 CHEMBL2111374 | Ki | 6.03 | 6.03 | 943.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]flumazenil from benzodiazepine receptor in bovine brain memb... | 17335185 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | Ki | = | 125.0 | nM | 6.9 | Displacement of [3H]flumazenil from rat GABAA alpha-1-beta-2-gamma-2 expressed i... | 17335185 |
| GABA A receptor alpha-2/beta-2/gamma-2 | Ki | = | 553.0 | nM | 6.26 | Displacement of [3H]flumazenil from rat GABAA alpha-2-beta-2-gamma-2 expressed i... | 17335185 |
| GABA A receptor alpha-5/beta-3/gamma-2 | Ki | = | 943.0 | nM | 6.03 | Displacement of [3H]flumazenil from rat GABAA alpha-5-beta-3-gamma-2 expressed i... | 17335185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17335185 | 10.1021/jm0607707 | Unchecked | 1 |
| 17335185 | 10.1021/jm0607707 | GABA A receptor alpha-2/beta-2/gamma-2 | 1 |
| 17335185 | 10.1021/jm0607707 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 17335185 | 10.1021/jm0607707 | GABA A receptor alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine