Compound Detail
CHEMBL205224
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Basic Information
| ChEMBL ID | CHEMBL205224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNFXKEPASZCPGA-MWTRTKDXSA-N |
3
Targets
3
Activities
1
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
4.83
ALogP
4
HBA
4
HBD
81.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.3 | 7.3 | 50.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 135.0 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 7.3 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 28.0 | % | Canis lupus familiaris |
| T1/2 | 2.5 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 0.1 | nM | 10.0 | Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulati... | 16640337 |
| Beta-1 adrenergic receptor | EC50 | = | 6.31 | nM | 8.2 | Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulati... | 16640337 |
| Beta-2 adrenergic receptor | EC50 | = | 50.12 | nM | 7.3 | Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulati... | 16640337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16640337 | 10.1021/jm0509445 | Canis familiaris | 5 |
| 16640337 | 10.1021/jm0509445 | Beta-3 adrenergic receptor | 2 |
| 16640337 | 10.1021/jm0509445 | Beta-2 adrenergic receptor | 2 |
| 16640337 | 10.1021/jm0509445 | Beta-1 adrenergic receptor | 2 |
| 16640337 | 10.1021/jm0509445 | Beta-2 adrenergic receptor and beta-3 adrenergic receptor | 1 |
| 16640337 | 10.1021/jm0509445 | Adrenergic receptor beta; ADRB1 & ADRB3 | 1 |
Data from ChEMBL 36 via Core Engine