Compound Detail
CHEMBL507506
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Basic Information
| ChEMBL ID | CHEMBL507506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAMFWLSSFZPHMC-KOSHJBKYSA-N |
4
Targets
4
Activities
1
Assay Types
8
PK Parameters
7
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.49
ALogP
5
HBA
3
HBD
91.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 10.19 | 10.19 | 0.1 | 1 |
| Canis familiaris CHEMBL373 | EC50 | 9.55 | 9.55 | 0.3 | 1 |
| Beta-3 adrenergic receptor CHEMBL4400 | EC50 | 9.29 | 9.29 | 0.5 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 35.5 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 65.2 | ng.hr.mL-1 | Macaca mulatta |
| CL | 24.3 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 47.0 | mL.min-1.kg-1 | Macaca mulatta |
| Cmax | 6.904 | nM | Canis lupus familiaris |
| Cmax | 18.87 | nM | Macaca mulatta |
| F | 54.9 | % | Canis lupus familiaris |
| F | 57.2 | % | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 0.064 | nM | 10.19 | Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO... | 18553954 |
| Canis familiaris | EC50 | = | 0.28 | nM | 9.55 | Inhibition of carbachol-induced increase in intravesical pressure in intraduoden... | 18553954 |
| Beta-3 adrenergic receptor | EC50 | = | 0.51 | nM | 9.29 | Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO c... | 18553954 |
| Beta-1 adrenergic receptor | EC50 | = | 190.0 | nM | 6.72 | Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CH... | 18553954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18553954 | 10.1021/jm8000345 | Canis familiaris | 7 |
| 18553954 | 10.1021/jm8000345 | Beta-3 adrenergic receptor | 4 |
| 18553954 | 10.1021/jm8000345 | Rhesus monkey | 4 |
| 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 |
Data from ChEMBL 36 via Core Engine