Compound Detail
CHEMBL3099659
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Basic Information
| ChEMBL ID | CHEMBL3099659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOKRLRQAAJDAGB-BEFAXECRSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
2.75
ALogP
5
HBA
4
HBD
82.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.45
EC50 1 meas. best 8.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 8.79 | 8.79 | 1.6 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 7.45 | 7.0933 | 35.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 1.63 | nM | 8.79 | Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells as... | 24326276 |
| Beta-2 adrenergic receptor | Ki | = | 35.73 | nM | 7.45 | Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic recepto... | 24326276 |
| Beta-2 adrenergic receptor | Ki | = | 35.7 | nM | 7.45 | Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic recepto... | 24326276 |
| Beta-2 adrenergic receptor | Ki | = | 420.0 | nM | 6.38 | Displacement of [3H]-CGP-12177 from human beta2 adrenergic receptor expressed in... | 24326276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24326276 | 10.1016/j.bmc.2013.11.030 | Beta-2 adrenergic receptor | 5 |
Data from ChEMBL 36 via Core Engine