Compound Detail
CHEMBL1800934
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 | CHEMBL1800934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLQLUFQBFMFXJO-QKKBWIMNSA-N |
2
Targets
6
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.51
ALogP
5
HBA
4
HBD
82.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.9
EC50 1 meas. best 8.4
IC50 1 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 7.9 | 7.4333 | 12.7 | 3 |
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 4.83 | 4.83 | 14800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 4.0 | nM | 8.4 | Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells a... | 20036561 |
| Beta-2 adrenergic receptor | IC50 | = | 4.37 | nM | 8.36 | Mitogenesis inhibition method: To measure beta2-AR mediated inhibition of mitoge... | - |
| Beta-2 adrenergic receptor | Ki | = | 12.71 | nM | 7.9 | Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic recepto... | 24326276 |
| Beta-2 adrenergic receptor | Ki | = | 12.7 | nM | 7.9 | Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic recepto... | 24326276 |
| Beta-2 adrenergic receptor | Ki | = | 320.0 | nM | 6.5 | Displacement of [3H]CGP-12177 from human beta2-adrenergic receptor expressed in ... | 20036561 |
| Beta-1 adrenergic receptor | Ki | = | 14800.0 | nM | 4.83 | Displacement of [3H]CGP-12177 from beta1-adrenergic receptor in Sprague-Dawley r... | 20036561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20036561 | 10.1016/j.bmc.2009.11.062 | Beta-2 adrenergic receptor | 3 |
| 24326276 | 10.1016/j.bmc.2013.11.030 | Beta-2 adrenergic receptor | 3 |
| 20036561 | 10.1016/j.bmc.2009.11.062 | Beta-1 adrenergic receptor | 1 |
| 20036561 | 10.1016/j.bmc.2009.11.062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine