Compound Detail
CHEMBL1814278
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CC(=O)O.O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
Basic Information
| ChEMBL ID | CHEMBL1814278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRPQQYIUHJBCDN-YCBFMBTMSA-N |
| Parent Compound | CHEMBL1814277 |
| Active Moiety | CHEMBL1814277 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
2.95
ALogP
8
HBA
5
HBD
136.8
PSA (Ų)
0.17
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.1995 | nM | 9.7 | Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as ... | 21696967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21696967 | 10.1016/j.bmc.2011.05.064 | Beta-2 adrenergic receptor | 4 |
Data from ChEMBL 36 via Core Engine