Compound Detail
CHEMBL348269
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Cc1ccc(S(=O)(=O)NCCc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL348269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZSYRRXEBNSEIL-IBVKSMDESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
502.1
MW (Da)
4.29
ALogP
5
HBA
4
HBD
90.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 10.0 | nM | 8.0 | Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expre... | 11806709 |
| Beta-3 adrenergic receptor | EC50 | = | 19.95 | nM | 7.7 | Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expre... | 11806709 |
| Beta-1 adrenergic receptor | EC50 | = | 19.95 | nM | 7.7 | Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expre... | 11806709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11806709 | 10.1021/jm0101500 | Beta-3 adrenergic receptor | 2 |
| 11806709 | 10.1021/jm0101500 | Beta-2 adrenergic receptor | 2 |
| 11806709 | 10.1021/jm0101500 | Beta-1 adrenergic receptor | 2 |
| 11806709 | 10.1021/jm0101500 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine