Compound Detail
CHEMBL162024
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1ccc(S(=O)(=O)N2CCC[C@@H]3CN4CCc5ccccc5[C@@H]4C[C@@H]32)cc1
Basic Information
| ChEMBL ID | CHEMBL162024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMNMOQZEMJROGO-WTNAPCKOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.04
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 8.66 | 8.66 | 2.2 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.33 | 5.33 | 4677.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 2.188 | nM | 8.66 | Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H... | 1671705 |
| Adrenergic receptor alpha-1 | Ki | = | 4677.35 | nM | 5.33 | Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H... | 1671705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1671705 | 10.1021/jm00106a036 | Adrenergic receptor alpha-1 | 1 |
| 1671705 | 10.1021/jm00106a036 | Adrenergic receptor alpha-2 | 1 |
| 1671705 | 10.1021/jm00106a036 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine