Compound Detail
CHEMBL3099661
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Basic Information
| ChEMBL ID | CHEMBL3099661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMZCOLVELYGEEE-PMACEKPBSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.00
ALogP
5
HBA
4
HBD
82.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.54
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 4.58 | 4.58 | 26200.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 4.54 | 4.54 | 29174.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 26200.0 | nM | 4.58 | Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells as... | 24326276 |
| Beta-2 adrenergic receptor | Ki | = | 29174.27 | nM | 4.54 | Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic recepto... | 24326276 |
| Beta-2 adrenergic receptor | Ki | = | 29200.0 | nM | 4.54 | Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic recepto... | 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