Compound Detail
CHEMBL165181
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Basic Information
| ChEMBL ID | CHEMBL165181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMXRRARDLWHYJN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
3.82
ALogP
5
HBA
0
HBD
37.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 8.76 | 8.76 | 1.7 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 7.94 | 7.94 | 11.5 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 7.85 | 7.85 | 14.1 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 6.67 | 6.67 | 213.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | IC50 | = | 1.738 | nM | 8.76 | Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwo... | 10636247 |
| Alpha-2B adrenergic receptor | IC50 | = | 11.48 | nM | 7.94 | Binding affinity at human Alpha-2B adrenergic receptor in CHO cells by [3H]rauwo... | 10636247 |
| Alpha-2C adrenergic receptor | IC50 | = | 14.13 | nM | 7.85 | Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwo... | 10636247 |
| Alpha-1A adrenergic receptor | IC50 | = | 213.8 | nM | 6.67 | 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