Compound Detail
CHEMBL5566821
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Basic Information
| ChEMBL ID | CHEMBL5566821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJCCTWILWJROTB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6070400 |
| Active Moiety | CHEMBL6070400 |
10
Targets
31
Activities
2
Assay Types
30
PK Parameters
20
Publications
0
Known Names
Molecular Properties
328.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 21 meas. best 8.52
EC50 10 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.52 | 8.4667 | 3.0 | 3 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 8.45 | 8.445 | 3.5 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.17 | 7.595 | 6.7 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 8.14 | 7.5975 | 7.2 | 4 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.0 | 7.925 | 10.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.5 | 7.495 | 32.0 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.14 | 7.14 | 72.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.04 | 7.04 | 91.2 | 2 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.97 | 6.97 | 107.2 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 6.9 | 6.9 | 125.9 | 2 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.02 | 6.02 | 949.0 | 2 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.98 | 5.98 | 1047.1 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.89 | 5.89 | 1288.2 | 2 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.31 | 5.31 | 4897.8 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 42.2 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 50.7 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 40.3 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 49.7 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2914.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3259.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1856.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2880.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 207.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 210.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3220.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3280.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 49.9 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 51.4 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 366.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 446.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 2720.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 2970.0 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 328.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.133 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 79.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 15.77 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 0.6 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | - | - | Canis lupus familiaris |
| Cmax | 3165.0 | ng/g | Mus musculus |
| Cmax | 2366.0 | ng/g | Mus musculus |
| Cmax | 0.0541 | ug.mL-1 | Rattus norvegicus |
| Cmax | 0.0186 | ug.mL-1 | Rattus norvegicus |
| Cmax | 0.89 | ug.mL-1 | Rattus norvegicus |
| Cmax | 0.402 | ug.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine