Compound Detail
CHEMBL1276247
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 | CHEMBL1276247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAIZHDGEGFGNMO-LLVKDONJSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
3.18
ALogP
4
HBA
1
HBD
33.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.78
EC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.78 | 6.78 | 166.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.15 | 6.15 | 708.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed ... | 20925410 |
| Alpha-2A adrenergic receptor | Ki | = | 165.96 | nM | 6.78 | Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO ce... | 20925410 |
| Alpha-2C adrenergic receptor | Ki | = | 316.23 | nM | 6.5 | Displacement of [3H]RX821002 from human Alpha-2C adrenoceptor expressed in CHO c... | 20925410 |
| Alpha-2B adrenergic receptor | Ki | = | 707.95 | nM | 6.15 | Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO ce... | 20925410 |
| Alpha-2A adrenergic receptor | EC50 | = | 3162.28 | nM | 5.5 | Agonist activity at human alpha2A adrenoceptor expressed in CHO cells assessed a... | 20925410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20925410 | 10.1021/jm100977d | Alpha-2A adrenergic receptor | 3 |
| 20925410 | 10.1021/jm100977d | Alpha-2B adrenergic receptor | 3 |
| 20925410 | 10.1021/jm100977d | Alpha-2C adrenergic receptor | 3 |
Data from ChEMBL 36 via Core Engine