Compound Detail
CHEMBL6766
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Basic Information
| ChEMBL ID | CHEMBL6766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJRFIWIVFLBBPS-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
2.36
ALogP
7
HBA
2
HBD
102.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.19
Kd 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 9.19 | 9.19 | 0.7 | 1 |
| Adrenergic receptor alpha CHEMBL2095203 | Kd | 7.42 | 7.42 | 38.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.26 | 7.26 | 54.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 0.65 | nM | 9.19 | In vitro binding affinity determined for alpha-1 adrenergic receptor by the disp... | 2884316 |
| Adrenergic receptor alpha | Kd | = | 38.02 | nM | 7.42 | Tested for functional alpha-antagonist activity against norepinephrine in rabbit... | 2884316 |
| Adrenergic receptor alpha-2 | Ki | = | 54.8 | nM | 7.26 | In vitro binding affinity determined for alpha-2 adrenergic receptor by the perc... | 2884316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2884316 | 10.1021/jm00389a007 | Adrenergic receptor alpha-1 | 4 |
| 2884316 | 10.1021/jm00389a007 | Adrenergic receptor alpha-2 | 2 |
| 2884316 | 10.1021/jm00389a007 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine