Compound Detail
CHEMBL3601307
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 | CHEMBL3601307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTBFNPMSMPHALX-NRFANRHFSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
2.90
ALogP
6
HBA
4
HBD
116.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.18 | 7.18 | 66.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 641.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 463.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 66.0 | nM | 7.18 | Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO... | 26125514 |
| Beta-3 adrenergic receptor | EC50 | = | 66.0 | nM | 7.18 | Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO... | 28355078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26125514 | 10.1021/acs.jmedchem.5b00638 | Beta-3 adrenergic receptor | 2 |
| 26125514 | 10.1021/acs.jmedchem.5b00638 | Alpha-1A adrenergic receptor | 2 |
| 28355078 | 10.1021/acs.jmedchem.6b01197 | Liver | 2 |
| 28355078 | 10.1021/acs.jmedchem.6b01197 | Alpha-1A adrenergic receptor | 2 |
| 28355078 | 10.1021/acs.jmedchem.6b01197 | Beta-3 adrenergic receptor | 2 |
| 26125514 | 10.1021/acs.jmedchem.5b00638 | Unchecked | 1 |
| 28355078 | 10.1021/acs.jmedchem.6b01197 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine