Compound Detail
CHEMBL4441464
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Basic Information
| ChEMBL ID | CHEMBL4441464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWTZFRLIYPKEJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
3.05
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.92 | 6.92 | 119.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 119.5 | nM | 6.92 | Displacement of [3H]Ro-15-1788 from human GABA alpha2/beta2/gamma2 receptor expr... | 30964988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30964988 | 10.1021/acs.jmedchem.9b00322 | Unchecked | 2 |
| 30964988 | 10.1021/acs.jmedchem.9b00322 | ADMET | 2 |
| 30964988 | 10.1021/acs.jmedchem.9b00322 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine