Compound Detail
CHEMBL92103
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
Basic Information
| ChEMBL ID | CHEMBL92103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXGVWHYUONSYSY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.70
ALogP
5
HBA
4
HBD
82.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.827 | hr | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | IC50 | = | 60.0 | nM | 7.22 | In vitro inhibitory concentration Beta-2 adrenergic receptor in Guinea pig trach... | 12873495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12873495 | 10.1016/s0960-894x(03)00538-9 | ADMET | 9 |
| 12873495 | 10.1016/s0960-894x(03)00538-9 | Beta-2 adrenergic receptor | 1 |
| 12873495 | 10.1016/s0960-894x(03)00538-9 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine