Compound Detail
CHEMBL1202299
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Basic Information
| ChEMBL ID | CHEMBL1202299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTMWNVXUSABXKK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL223477 |
| Active Moiety | CHEMBL223477 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.7
MW (Da)
3.17
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 6.89 | 6.89 | 128.8 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.07 | 6.07 | 851.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 129.0 | nM | 6.89 | Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus ... | 17375905 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 128.82 | nM | 6.89 | Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus ... | 17375905 |
| Unchecked | Ki | = | 851.0 | nM | 6.07 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain syn... | 17375905 |
| Unchecked | Ki | = | 851.14 | nM | 6.07 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain syn... | 17375905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17375905 | 10.1021/jm070038n | Unchecked | 3 |
| 17375905 | 10.1021/jm070038n | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
Data from ChEMBL 36 via Core Engine