Compound Detail
CHEMBL4516838
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CC(CC(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)CC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL4516838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPDXUFOLKSRLPV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
4.89
ALogP
5
HBA
5
HBD
114.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 2.512 | nM | 8.6 | Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells as... | 30392952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30392952 | 10.1016/j.bmc.2018.10.043 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine