Compound Detail
CHEMBL1186788
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Basic Information
| ChEMBL ID | CHEMBL1186788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRRLJQVNGWKPQF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
0.66
ALogP
3
HBA
2
HBD
54.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | EC50 | = | 37.0 | nM | 7.43 | Agonist activity at human recombinant alpha2A adrenergic receptor expressed in C... | 21129985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21129985 | 10.1016/j.bmc.2010.11.020 | Alpha-2A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine