Compound Detail
CHEMBL510102
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Basic Information
| ChEMBL ID | CHEMBL510102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTLVQMFMIFVEFP-ZHRRBRCNSA-N |
2
Targets
2
Activities
1
Assay Types
10
PK Parameters
6
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
3.70
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 9.31 | 9.31 | 0.5 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 7.12 | 7.12 | 75.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 102.9 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 206.8 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 34.3 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.4 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 58.44 | nM | Rattus norvegicus |
| Cmax | 81.02 | nM | Canis lupus familiaris |
| F | 25.2 | % | Rattus norvegicus |
| F | 59.7 | % | Canis lupus familiaris |
| T1/2 | 1.91 | hr | Rattus norvegicus |
| T1/2 | 6.4 | 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 | = | 0.49 | nM | 9.31 | Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO... | 18553954 |
| Beta-1 adrenergic receptor | EC50 | = | 75.0 | nM | 7.12 | 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 | 6 |
| 18553954 | 10.1021/jm8000345 | Rattus norvegicus | 5 |
| 18553954 | 10.1021/jm8000345 | Beta-3 adrenergic receptor | 2 |
| 18553954 | 10.1021/jm8000345 | Unchecked | 2 |
| 18553954 | 10.1021/jm8000345 | Beta-1 adrenergic receptor | 1 |
| 18553954 | 10.1021/jm8000345 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine