Compound Detail
CHEMBL1085442
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Basic Information
| ChEMBL ID | CHEMBL1085442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RADHVVDWDLYMPY-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
3.59
ALogP
5
HBA
4
HBD
102.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 21.0 | nM | 7.68 | Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells ass... | 20181479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20181479 | 10.1016/j.bmcl.2010.01.130 | Beta-3 adrenergic receptor | 2 |
| 20181479 | 10.1016/j.bmcl.2010.01.130 | Beta-2 adrenergic receptor | 1 |
| 20181479 | 10.1016/j.bmcl.2010.01.130 | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine