Compound Detail
CHEMBL351929
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COc1ccc2c(c1)CCN1C[C@H]3CCCN(S(=O)(=O)NC(C)(C)C)[C@H]3C[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL351929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLIVHAPGDKIORC-UXPWSPDFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.6
MW (Da)
2.71
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.78 | 7.78 | 16.6 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.26 | 5.26 | 5495.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 16.6 | nM | 7.78 | Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H... | 1671705 |
| Adrenergic receptor alpha-1 | Ki | = | 5495.41 | nM | 5.26 | 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