Compound Detail
CHEMBL350131
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O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)Oc4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1
Basic Information
| ChEMBL ID | CHEMBL350131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIDRIQSPUFCEKZ-SSYAZFEXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
612.7
MW (Da)
3.04
ALogP
10
HBA
5
HBD
157.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 380.0 | nM | 6.42 | Agonistic activity as cAMP accumulation in CHO cells expressing human beta-3-and... | 11277513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277513 | 10.1016/s0960-894x(01)00063-4 | Beta-3 adrenergic receptor | 2 |
| 11277513 | 10.1016/s0960-894x(01)00063-4 | Beta-2 adrenergic receptor | 2 |
| 11277513 | 10.1016/s0960-894x(01)00063-4 | Beta-1 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine