Compound Detail
CHEMBL473702
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL473702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCAAUXMMXJQKOH-VWLOTQADSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
4.09
ALogP
5
HBA
4
HBD
108.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 10.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 10.18 | 10.18 | 0.1 | 1 |
| Canis familiaris CHEMBL373 | EC50 | 8.74 | 8.74 | 1.8 | 1 |
| Beta-3 adrenergic receptor CHEMBL4400 | EC50 | 8.49 | 8.49 | 3.2 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.44 | 8.44 | 3.6 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 0.066 | nM | 10.18 | Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO... | 19366244 |
| Canis familiaris | EC50 | = | 1.8 | nM | 8.74 | Inhibition of carbachol-induced increase in intravesical pressure in intraduoden... | 19366244 |
| Beta-3 adrenergic receptor | EC50 | = | 3.2 | nM | 8.49 | Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO c... | 19366244 |
| Unchecked | EC50 | = | 3.6 | nM | 8.44 | Inhibition of KCl-induced tonic contraction in Beagle dog detrusor muscle strips... | 19366244 |
| Beta-1 adrenergic receptor | EC50 | = | 150.0 | nM | 6.82 | Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CH... | 19366244 |
| Beta-2 adrenergic receptor | EC50 | = | 3200.0 | nM | 5.5 | Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO... | 19366244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19366244 | 10.1021/jm9000709 | Canis familiaris | 4 |
| 19366244 | 10.1021/jm9000709 | Beta-3 adrenergic receptor | 2 |
| 19366244 | 10.1021/jm9000709 | Beta-1 adrenergic receptor | 1 |
| 19366244 | 10.1021/jm9000709 | Beta-2 adrenergic receptor | 1 |
| 19366244 | 10.1021/jm9000709 | Serum | 1 |
| 19366244 | 10.1021/jm9000709 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine