Compound Detail
CHEMBL3681548
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Basic Information
| ChEMBL ID | CHEMBL3681548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCAOZNYTIATHLZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.84
ALogP
6
HBA
1
HBD
86.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-5 CHEMBL5112 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Integrin alpha-5 CHEMBL3955 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-5 | Ki | = | 0.9 | nM | 9.05 | Radioligand Binding Assay: Radioligand binding assays were carried out in a volu... | - |
| Integrin alpha-5 | Ki | = | 1.0 | nM | 9.0 | Electrophysiology: Electrophysiological experiments were performed on days 3 to ... | - |
Data from ChEMBL 36 via Core Engine