Compound Detail
CHEMBL408693
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CC(C)S(=O)(=O)c1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL408693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQBAOGFNBSYIMT-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
4.10
ALogP
5
HBA
3
HBD
103.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 2.2 | nM | 8.66 | Agonist activity at human beta3 adrenergic receptor expressed in CHO cells asses... | 18307290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18307290 | 10.1021/jm701324c | Beta-3 adrenergic receptor | 2 |
| 18307290 | 10.1021/jm701324c | Unchecked | 2 |
| 18307290 | 10.1021/jm701324c | Beta-1 adrenergic receptor | 1 |
| 18307290 | 10.1021/jm701324c | Beta-2 adrenergic receptor | 1 |
| 18307290 | 10.1021/jm701324c | Canis familiaris | 1 |
| 18307290 | 10.1021/jm701324c | ADMET | 1 |
Data from ChEMBL 36 via Core Engine