Compound Detail
CHEMBL1200811
ARFORMOTEROL FUMARATE Enter ChEMBL ID:
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COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1.O.O=C(O)/C=C/C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1200811 |
| Name | ARFORMOTEROL FUMARATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXAGNMKWGBWLMO-SGGYECELSA-N |
| Parent Compound | CHEMBL1363 |
| Active Moiety | CHEMBL1363 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.22
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | EC50 | 9.5 | 9.5 | 0.3 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.6 | 7.6 | 25.1 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.3162 | nM | 9.5 | Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip asses... | 21925889 |
| Beta-2 adrenergic receptor | EC50 | = | 0.5012 | nM | 9.3 | Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP... | 21925889 |
| Beta-3 adrenergic receptor | EC50 | = | 25.12 | nM | 7.6 | Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP... | 21925889 |
| Beta-1 adrenergic receptor | EC50 | = | 39.81 | nM | 7.4 | Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP... | 21925889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21925889 | 10.1016/j.bmc.2011.08.043 | Beta-2 adrenergic receptor | 5 |
| 21925889 | 10.1016/j.bmc.2011.08.043 | Beta-1 adrenergic receptor | 1 |
| 21925889 | 10.1016/j.bmc.2011.08.043 | Beta-3 adrenergic receptor | 1 |
| 21925889 | 10.1016/j.bmc.2011.08.043 | Liver microsomes | 1 |
| 21925889 | 10.1016/j.bmc.2011.08.043 | Cavia porcellus | 1 |
| 21925889 | 10.1016/j.bmc.2011.08.043 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine