Compound Detail
CHEMBL282190
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Basic Information
| ChEMBL ID | CHEMBL282190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHEYFIGWYQJVDR-UWBLVGDVSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.9
MW (Da)
3.54
ALogP
4
HBA
4
HBD
94.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 10.21 | 10.085 | 0.1 | 2 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 8.19 | 8.19 | 6.4 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 0.062 | nM | 10.21 | Agonist activity at Homo sapiens (human) beta3 adrenoreceptor | 21170122 |
| Beta-3 adrenergic receptor | EC50 | = | 0.11 | nM | 9.96 | Agonism of recombinant human beta-3 adrenergic receptor assayed by measuring cAM... | 12657269 |
| Beta-1 adrenergic receptor | EC50 | = | 6.4 | nM | 8.19 | Agonist activity at Homo sapiens (human) beta1 adrenoreceptor | 21170122 |
| Beta-2 adrenergic receptor | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at Homo sapiens (human) beta2 adrenoreceptor | 21170122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657269 | 10.1016/s0960-894x(03)00073-8 | Beta-3 adrenergic receptor | 2 |
| 21170122 | 10.1007/s00044-009-9257-x | Beta-3 adrenergic receptor | 1 |
| 21170122 | 10.1007/s00044-009-9257-x | Beta-1 adrenergic receptor | 1 |
| 21170122 | 10.1007/s00044-009-9257-x | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine