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Compound Detail

CHEMBL2218907

ZILPATEROL
🧪 Phase II
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🧪 Phase II
CC(C)NC1CCn2c(=O)[nH]c3cccc(c32)C1O

Basic Information

ChEMBL ID CHEMBL2218907
Name ZILPATEROL
Phase Phase II
Structure Type MOL
InChI Key ZSTCZWJCLIRCOJ-UHFFFAOYSA-N

Known Names

RU-42173 Zilpaterol
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
6
Publications
2
Known Names

Molecular Properties

261.3
MW (Da)
1.13
ALogP
4
HBA
3
HBD
70.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -terol

Extended Properties

Molecular Formula C14H19N3O2
MW 261.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.01

Activity Summary

EC50 2 meas. best 8.06
IC50 1 meas. best 5.96
Ki 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL5414
EC50 8.06 7.89 8.7 2
Beta-2 adrenergic receptor
CHEMBL210
Ki 6.24 6.24 580.0 1
Beta-2 adrenergic receptor
CHEMBL210
IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19245211 10.1021/jm801211c Beta-2 adrenergic receptor 7
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine