Compound Detail
CHEMBL389519
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Basic Information
| ChEMBL ID | CHEMBL389519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGUPDXLZKDANGO-LHSJRXKWSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.51
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.6
Kd 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 5.6 | 5.6 | 2512.0 | 2 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 5.6 | 5.5967 | 2511.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 2512.0 | nM | 5.6 | Beta2-AR Binding Assay: HEK 293 cells stability transfected with cDNA encoding h... | - |
| Beta-2 adrenergic receptor | Kd | = | 2512.0 | nM | 5.6 | Beta-2 AR binding assay: HEK 293 cells stability transfected with cDNA encoding ... | - |
| Beta-2 adrenergic receptor | Ki | = | 2511.89 | nM | 5.6 | Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in ... | 17506540 |
| Beta-2 adrenergic receptor | Ki | = | 2535.0 | nM | 5.6 | Beta1-AR Binding Assay: Beta1-AR binding was done on rat cortical membrane follo... | - |
| Beta-2 adrenergic receptor | Ki | = | 2540.0 | nM | 5.59 | Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in ... | 17506540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17506540 | 10.1021/jm070030d | Beta-2 adrenergic receptor | 2 |
| 17506540 | 10.1021/jm070030d | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine