Compound Detail
CHEMBL1452334
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 | CHEMBL1452334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILROLKAWTJALIA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
2.60
ALogP
8
HBA
0
HBD
76.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.01
IC50 1 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 8.01 | 7.585 | 9.8 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 5.63 | 5.63 | 2317.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 9.77 | nM | 8.01 | PubChem BioAssay. Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| Beta-2 adrenergic receptor | EC50 | = | 69.3 | nM | 7.16 | PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| No relevant target | IC50 | = | 2317.0 | nM | 5.63 | PubChem BioAssay. Counterscreen for inhibitors of the fructose-bisphosphate aldo... | - |
Data from ChEMBL 36 via Core Engine