Compound Detail
CHEMBL1094487
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 | CHEMBL1094487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SARQODHPNUVLSS-QFIPXVFZSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
3.15
ALogP
4
HBA
4
HBD
85.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.94
IC50 1 meas. best 7.12
Ki 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 6.94 | 6.94 | 115.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 6.16 | 6.16 | 692.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | IC50 | = | 75.0 | nM | 7.12 | Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip asses... | 20402514 |
| Beta-2 adrenergic receptor | EC50 | = | 115.0 | nM | 6.94 | Agonist activity at human beta2 adrenergic receptor assessed as increase in cAMP... | 20402514 |
| Beta-2 adrenergic receptor | Ki | = | 692.0 | nM | 6.16 | Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic rece... | 20402514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20402514 | 10.1021/jm100068m | Beta-2 adrenergic receptor | 7 |
| 28703592 | 10.1021/acs.jmedchem.7b00205 | Lipid bilayer | 2 |
| 28703592 | 10.1021/acs.jmedchem.7b00205 | No relevant target | 2 |
| 20402514 | 10.1021/jm100068m | Albumin | 1 |
| 20402514 | 10.1021/jm100068m | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine