Compound Detail
CHEMBL3909417
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Basic Information
| ChEMBL ID | CHEMBL3909417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSDUJIGQJOLYND-GTNSWQLSSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
1.93
ALogP
5
HBA
5
HBD
98.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.22
Kd 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 5.22 | 5.22 | 6026.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 5.22 | 5.22 | 6035.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 4.48 | 4.48 | 33047.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 6026.0 | nM | 5.22 | Beta2-AR Binding Assay: HEK 293 cells stability transfected with cDNA encoding h... | - |
| Beta-2 adrenergic receptor | Ki | = | 6035.0 | nM | 5.22 | Beta1-AR Binding Assay: Beta1-AR binding was done on rat cortical membrane follo... | - |
| Beta-1 adrenergic receptor | Ki | = | 33047.0 | nM | 4.48 | Beta1-AR Binding Assay: Beta1-AR binding was done on rat cortical membrane follo... | - |
Data from ChEMBL 36 via Core Engine