Compound Detail
CHEMBL362763
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C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccc(C(=O)O)cc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Basic Information
| ChEMBL ID | CHEMBL362763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSGXQRKXXHVKLG-BCHFMIIMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
655.8
MW (Da)
4.75
ALogP
9
HBA
5
HBD
174.9
PSA (Ų)
0.11
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 1.1 | nM | 8.96 | Agonistic activity was determined by measuring cAMP accumulation in CHO cells ex... | 15546707 |
| Beta-2 adrenergic receptor | EC50 | = | 60.0 | nM | 7.22 | Agonistic activity was determined by measuring cAMP accumulation in CHO cells ex... | 15546707 |
| Beta-1 adrenergic receptor | EC50 | = | 85.0 | nM | 7.07 | Agonistic activity was determined by measuring cAMP accumulation in CHO cells ex... | 15546707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546707 | 10.1016/j.bmcl.2004.10.035 | Beta-3 adrenergic receptor | 2 |
| 15546707 | 10.1016/j.bmcl.2004.10.035 | Beta-1 adrenergic receptor | 2 |
| 15546707 | 10.1016/j.bmcl.2004.10.035 | Beta-2 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine