Compound Detail
CHEMBL162058
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
Basic Information
| ChEMBL ID | CHEMBL162058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBPZQLMDDBIIGZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
3.37
ALogP
7
HBA
0
HBD
69.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 8.45 | 8.45 | 3.5 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 7.24 | 7.24 | 57.5 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 5.28 | 5.28 | 5248.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | IC50 | = | 3.548 | nM | 8.45 | Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwo... | 10636247 |
| Alpha-2C adrenergic receptor | IC50 | = | 57.54 | nM | 7.24 | Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwo... | 10636247 |
| Alpha-2B adrenergic receptor | IC50 | = | 194.98 | nM | 6.71 | Binding affinity at human Alpha-2B adrenergic receptor in CHO cells by [3H]rauwo... | 10636247 |
| Alpha-1A adrenergic receptor | IC50 | = | 5248.07 | nM | 5.28 | Binding affinity at human Alpha-1A adrenergic receptor in CHO cells uby [3H]praz... | 10636247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10636247 | 10.1016/s0960-894x(99)00591-0 | Rattus norvegicus | 2 |
| 10636247 | 10.1016/s0960-894x(99)00591-0 | Alpha-1A adrenergic receptor | 1 |
| 10636247 | 10.1016/s0960-894x(99)00591-0 | Alpha-2A adrenergic receptor | 1 |
| 10636247 | 10.1016/s0960-894x(99)00591-0 | Alpha-2B adrenergic receptor | 1 |
| 10636247 | 10.1016/s0960-894x(99)00591-0 | Alpha-2C adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine