Compound Detail
CHEMBL493675
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 | CHEMBL493675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDVBCCBWSXJBJH-OVCLIPMQSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
1.26
ALogP
5
HBA
2
HBD
66.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.9
Ki 3 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 6.9 | 6.9 | 125.9 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.54 | 6.54 | 288.4 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 6.3 | 6.3 | 501.2 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.15 | 6.15 | 708.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.04 | 6.04 | 912.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | EC50 | = | 125.89 | nM | 6.9 | Agonist activity at human recombinant adrenergic Alpha-2C receptor expressed in ... | 18578476 |
| Alpha-2A adrenergic receptor | Ki | = | 288.4 | nM | 6.54 | Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A recept... | 18578476 |
| Alpha-2A adrenergic receptor | EC50 | = | 501.19 | nM | 6.3 | Agonist activity at human recombinant adrenergic alpha2A receptor expressed in C... | 18578476 |
| Alpha-2B adrenergic receptor | Ki | = | 707.95 | nM | 6.15 | Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2B recept... | 18578476 |
| Alpha-2C adrenergic receptor | Ki | = | 912.01 | nM | 6.04 | Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C recep... | 18578476 |
| Alpha-2B adrenergic receptor | EC50 | = | 3981.07 | nM | 5.4 | Agonist activity at human recombinant adrenergic alpha2B receptor expressed in C... | 18578476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18578476 | 10.1021/jm800250z | Alpha-2A adrenergic receptor | 3 |
| 18578476 | 10.1021/jm800250z | Alpha-2B adrenergic receptor | 3 |
| 18578476 | 10.1021/jm800250z | Alpha-2C adrenergic receptor | 3 |
Data from ChEMBL 36 via Core Engine