Compound Detail
CHEMBL451179
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Basic Information
| ChEMBL ID | CHEMBL451179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFYOCHWWKWULRT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
189.3
MW (Da)
1.87
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 7.11 | 7.11 | 77.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.11 | 7.11 | 77.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 77.62 | nM | 7.11 | Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex... | 18678494 |
| Adrenergic receptor alpha-2 | Ki | = | 77.6 | nM | 7.11 | Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain me... | 33139112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18678494 | 10.1016/j.bmc.2008.07.033 | Unchecked | 1 |
| 33139112 | 10.1016/j.ejmech.2020.112947 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine