Compound Detail
CHEMBL4292818
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Basic Information
| ChEMBL ID | CHEMBL4292818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGGSEBXTKMTNBW-CQSZACIVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.53
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.06 | 7.06 | 87.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 87.9 | nM | 7.06 | Agonist activity at human beta2-AR expressed in CHOK1 cells co-expressing Galpha... | 29517238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29517238 | 10.1021/acs.jnatprod.7b00762 | RAW264.7 | 2 |
| 29517238 | 10.1021/acs.jnatprod.7b00762 | Beta-2 adrenergic receptor | 2 |
| 31625751 | 10.1021/acs.jnatprod.9b00418 | Beta-1 adrenergic receptor | 1 |
| 31625751 | 10.1021/acs.jnatprod.9b00418 | Alpha-1B adrenergic receptor | 1 |
| 37856864 | 10.1021/acs.jnatprod.3c00465 | Beta-1 adrenergic receptor | 1 |
| 37856864 | 10.1021/acs.jnatprod.3c00465 | RAW264.7 | 1 |
| 37856864 | 10.1021/acs.jnatprod.3c00465 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine