Compound Detail
CHEMBL470292
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Basic Information
| ChEMBL ID | CHEMBL470292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNNCJPLSEBDJPD-QHCPKHFHSA-N |
4
Targets
7
Activities
1
Assay Types
15
PK Parameters
13
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.10
ALogP
5
HBA
3
HBD
91.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 8.82 | 8.8133 | 1.5 | 3 |
| Canis familiaris CHEMBL373 | EC50 | 8.11 | 8.11 | 7.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.1 | 8.1 | 7.9 | 1 |
| Beta-3 adrenergic receptor CHEMBL4400 | EC50 | 8.0 | 7.98 | 10.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 548.2 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 461.3 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 77.5 | ng.hr.mL-1 | Macaca mulatta |
| CL | 16.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 6.4 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 22.8 | mL.min-1.kg-1 | Macaca mulatta |
| Cmax | 408.79 | nM | Rattus norvegicus |
| Cmax | 64.21 | nM | Canis lupus familiaris |
| Cmax | 26.16 | nM | Macaca mulatta |
| F | 61.5 | % | Rattus norvegicus |
| F | 63.2 | % | Canis lupus familiaris |
| F | 25.7 | % | Macaca mulatta |
| T1/2 | 3.5 | hr | Rattus norvegicus |
| T1/2 | 9.9 | hr | Canis lupus familiaris |
| T1/2 | 2.2 | hr | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 1.5 | nM | 8.82 | Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO... | 18553954 |
| Beta-3 adrenergic receptor | EC50 | = | 1.5 | nM | 8.82 | Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO... | 19366244 |
| Beta-3 adrenergic receptor | EC50 | = | 1.585 | nM | 8.8 | Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO... | 19366244 |
| Canis familiaris | EC50 | = | 7.8 | nM | 8.11 | Inhibition of carbachol-induced increase in intravesical pressure in intraduoden... | 18553954 |
| Unchecked | EC50 | = | 7.943 | nM | 8.1 | Inhibition of KCl-induced tonic contraction in Beagle dog detrusor muscle strips... | 19366244 |
| Beta-3 adrenergic receptor | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO c... | 19366244 |
| Beta-3 adrenergic receptor | EC50 | = | 11.0 | nM | 7.96 | Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO c... | 18553954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18553954 | 10.1021/jm8000345 | Canis familiaris | 8 |
| 18553954 | 10.1021/jm8000345 | Rattus norvegicus | 5 |
| 18553954 | 10.1021/jm8000345 | Rhesus monkey | 5 |
| 18553954 | 10.1021/jm8000345 | Beta-3 adrenergic receptor | 4 |
| 19366244 | 10.1021/jm9000709 | Beta-3 adrenergic receptor | 3 |
| 18553954 | 10.1021/jm8000345 | Unchecked | 2 |
| 18553954 | 10.1021/jm8000345 | Beta-1 adrenergic receptor | 1 |
| 18553954 | 10.1021/jm8000345 | Beta-2 adrenergic receptor | 1 |
| 18553954 | 10.1021/jm8000345 | Serum | 1 |
| 19366244 | 10.1021/jm9000709 | Canis familiaris | 1 |
| 19366244 | 10.1021/jm9000709 | Beta-1 adrenergic receptor | 1 |
| 19366244 | 10.1021/jm9000709 | Beta-2 adrenergic receptor | 1 |
| 19366244 | 10.1021/jm9000709 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine