Compound Detail
CHEMBL3600395
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Basic Information
| ChEMBL ID | CHEMBL3600395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXWUJGZFQZCUPU-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
2.51
ALogP
6
HBA
4
HBD
116.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 5.81 | 5.81 | 1548.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 17.0 | nM | 7.77 | Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO... | 26125514 |
| Alpha-1A adrenergic receptor | EC50 | = | 1548.0 | nM | 5.81 | Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells ... | 26125514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26125514 | 10.1021/acs.jmedchem.5b00638 | Rattus norvegicus | 4 |
| 26125514 | 10.1021/acs.jmedchem.5b00638 | Beta-3 adrenergic receptor | 2 |
| 26125514 | 10.1021/acs.jmedchem.5b00638 | Alpha-1A adrenergic receptor | 2 |
| 26125514 | 10.1021/acs.jmedchem.5b00638 | Beta-1 adrenergic receptor | 1 |
| 26125514 | 10.1021/acs.jmedchem.5b00638 | Beta-2 adrenergic receptor | 1 |
| 26125514 | 10.1021/acs.jmedchem.5b00638 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine