Compound Detail
CHEMBL509156
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL509156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTGYMCRAGAZJTI-PIKZIKFNSA-N |
2
Targets
2
Activities
1
Assay Types
9
PK Parameters
7
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
6.02
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 10.38 | 10.38 | 0.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 24.3 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 68.9 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | - | - | Rattus norvegicus |
| CL | - | - | Macaca mulatta |
| CL | - | - | Homo sapiens |
| CL | 0.1 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | - | % | Canis lupus familiaris |
| T1/2 | 0.35 | 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 | = | 0.042 | nM | 10.38 | Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO... | 18553954 |
| Beta-1 adrenergic receptor | EC50 | = | 28.0 | nM | 7.55 | 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 | 8 |
| 18553954 | 10.1021/jm8000345 | Beta-3 adrenergic receptor | 2 |
| 18553954 | 10.1021/jm8000345 | Liver microsomes | 2 |
| 18553954 | 10.1021/jm8000345 | Beta-1 adrenergic receptor | 1 |
| 18553954 | 10.1021/jm8000345 | Unchecked | 1 |
| 18553954 | 10.1021/jm8000345 | Beta-2 adrenergic receptor | 1 |
| 18553954 | 10.1021/jm8000345 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine