Compound Detail
CHEMBL3647557
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Basic Information
| ChEMBL ID | CHEMBL3647557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPKWUFMPSCCEGN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
4.53
ALogP
7
HBA
0
HBD
91.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL4956 | Ki | 7.39 | 7.39 | 40.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-2 | Ki | = | 40.6 | nM | 7.39 | Radioligand Competition Binding Assay: The affinity of the test compounds was de... | - |
Data from ChEMBL 36 via Core Engine