Compound Detail
CHEMBL109848
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Basic Information
| ChEMBL ID | CHEMBL109848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXPWQXVCFMMCEE-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.84
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.28
EC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.28 | 6.28 | 524.8 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.26 | 6.26 | 549.5 | 1 |
| Alpha-1A adrenergic receptor CHEMBL3637 | EC50 | 5.89 | 5.89 | 1288.2 | 1 |
| Alpha-2B adrenergic receptor CHEMBL266 | Ki | 5.52 | 5.52 | 3019.9 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | EC50 | 4.84 | 4.84 | 14454.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 524.81 | nM | 6.28 | In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxilla... | 15163201 |
| Alpha-1A adrenergic receptor | Ki | = | 524.81 | nM | 6.28 | Binding affinity to alpha1A adrenoreceptor in Rattus norvegicus (rat) submaxilla... | - |
| Alpha-2A adrenergic receptor | Ki | = | 549.54 | nM | 6.26 | In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in... | 15163201 |
| Alpha-1A adrenergic receptor | EC50 | = | 1288.25 | nM | 5.89 | Agonist activity at alpha1A adrenoreceptor in Oryctolagus cuniculus (rabbit) ure... | - |
| Alpha-2B adrenergic receptor | Ki | = | 3019.95 | nM | 5.52 | In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal l... | 15163201 |
| Alpha-1B adrenergic receptor | EC50 | = | 14454.4 | nM | 4.84 | Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163201 | 10.1021/jm030551a | Alpha-1A adrenergic receptor | 3 |
| 15163201 | 10.1021/jm030551a | Alpha-1B adrenergic receptor | 3 |
| 15163201 | 10.1021/jm030551a | Alpha-2A adrenergic receptor | 3 |
| 15163201 | 10.1021/jm030551a | Unchecked | 3 |
| 15163201 | 10.1021/jm030551a | Canis familiaris | 3 |
| - | 10.1007/s00044-004-0020-z | Alpha-1B adrenergic receptor | 3 |
| - | 10.1007/s00044-004-0020-z | Alpha-1A adrenergic receptor | 3 |
| 15163201 | 10.1021/jm030551a | Alpha-1D adrenergic receptor | 1 |
| 15163201 | 10.1021/jm030551a | Alpha adrenergic receptor 1A and 1B | 1 |
| 15163201 | 10.1021/jm030551a | Alpha adrenergic receptor 1A and 1D | 1 |
| 15163201 | 10.1021/jm030551a | Alpha-2B adrenergic receptor | 1 |
| - | 10.1007/s00044-004-0020-z | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine