Compound Detail
CHEMBL1788222
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Basic Information
| ChEMBL ID | CHEMBL1788222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUCGAUZSWYLMRK-MRXNPFEDSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
2.49
ALogP
5
HBA
1
HBD
60.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 9.89 | 9.89 | 0.1 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 9.64 | 9.64 | 0.2 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 9.38 | 9.38 | 0.4 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.94 | 6.94 | 116.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.74 | 6.74 | 183.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.35 | 6.35 | 444.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 0.13 | nM | 9.89 | Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor of rat cortical m... | 9703460 |
| Alpha-1A adrenergic receptor | Ki | = | 0.23 | nM | 9.64 | Displacement of [3H]prazosin from Alpha-1A adrenergic receptor of rat submaxilla... | 9703460 |
| Alpha-1B adrenergic receptor | Ki | = | 0.42 | nM | 9.38 | Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver memb... | 9703460 |
| Alpha-2B adrenergic receptor | Ki | = | 116.0 | nM | 6.94 | Compound is evaluated for binding affinity towards Alpha-2B adrenergic receptor ... | 9703460 |
| Adrenergic receptor alpha-2 | Ki | = | 183.0 | nM | 6.74 | Displacement of clonidine from Alpha-2 adrenergic receptor of rat cortical membr... | 9703460 |
| Alpha-2A adrenergic receptor | Ki | = | 444.0 | nM | 6.35 | Compound is evaluated for binding affinity towards Alpha-2A adrenergic receptor ... | 9703460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703460 | 10.1021/jm970159v | Adrenergic receptor alpha-1 | 1 |
| 9703460 | 10.1021/jm970159v | Alpha-1A adrenergic receptor | 1 |
| 9703460 | 10.1021/jm970159v | Alpha-1B adrenergic receptor | 1 |
| 9703460 | 10.1021/jm970159v | Adrenergic receptor alpha-2 | 1 |
| 9703460 | 10.1021/jm970159v | Alpha-2A adrenergic receptor | 1 |
| 9703460 | 10.1021/jm970159v | Alpha-2B adrenergic receptor | 1 |
| 9703460 | 10.1021/jm970159v | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine