Compound Detail

CHEMBL1363

ARFORMOTEROL

💊 Approved Drug

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💊 Approved Drug

COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1363
Name	ARFORMOTEROL
Phase	Approved
Structure Type	MOL
InChI Key	BPZSYCZIITTYBL-YJYMSZOUSA-N
Therapeutic	✓ Yes

Known Names

(-)-formoterol (r,r)-formoterol Arformoterol Formoterol r,r-form

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

344.4

MW (Da)

2.22

ALogP

HBA

HBD

90.8

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	2006
Availability	Prescription
Chirality	Single Enantiomer

Routes of Administration

Topical

Flags

Natural Product

USAN Stem	-terol
USAN Year	2003

Extended Properties

Molecular Formula	C19H24N2O4
MW	344.41
Aromatic Rings	2
Heavy Atoms	25
NP-Likeness	-0.07

Indications

Bronchitis Bronchitis, Chronic Emphysema Pulmonary Disease, Chronic Obstructive Asthma

Activity Summary

EC50 6 meas. best 9.9

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Beta-2 adrenergic receptor CHEMBL5414	EC50	9.9	9.895	0.1	2
Beta-2 adrenergic receptor CHEMBL210	EC50	9.5	9.04	0.3	2
Beta-1 adrenergic receptor CHEMBL213	EC50	6.96	6.96	109.0	1
enterovirus D68 CHEMBL613204	EC50	4.61	4.61	24700.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	3.91	uL.min-1.(10^6cells)-1	Homo sapiens
CL	9.0	mL.min-1.g-1	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Beta-2 adrenergic receptor	EC50	=	0.1259	nM	9.9	Agonist activity at guinea pig trachea beta2-adrenergic receptor assessed as rel...	24300734
Beta-2 adrenergic receptor	EC50	=	0.13	nM	9.89	Agonist activity at guinea pig trachea beta2-adrenergic receptor assessed as rel...	24300734
Beta-2 adrenergic receptor	EC50	=	0.3162	nM	9.5	Agonist activity at beta2-adrenergic receptor (unknown origin)	24300734
Beta-2 adrenergic receptor	EC50	=	2.63	nM	8.58	Agonist activity at human beta2 adrenoceptor expressed in CHO cells assessed as ...	33213146
Beta-1 adrenergic receptor	EC50	=	109.0	nM	6.96	Agonist activity at human beta1 adrenoceptor expressed in CHO cells assessed as ...	33213146
enterovirus D68	EC50	=	24700.0	nM	4.61	Antiviral activity against Enterovirus D68 US/KY/14-18953 infected in human RD c...	30912944

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3301361	ADMET	5
24300734	10.1016/j.bmcl.2013.11.028	Beta-2 adrenergic receptor	3
37468498	10.1038/s41467-023-40064-9	Alpha-1A adrenergic receptor	2
37468498	10.1038/s41467-023-40064-9	Muscarinic acetylcholine receptor M2	2
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 1A	2
37468498	10.1038/s41467-023-40064-9	Gamma-aminobutyric acid receptor subunit alpha-1	2
37468498	10.1038/s41467-023-40064-9	Progesterone receptor	2
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2B	2
37468498	10.1038/s41467-023-40064-9	Alpha-2A adrenergic receptor	2
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2A	2
37468498	10.1038/s41467-023-40064-9	Voltage-gated inwardly rectifying potassium channel KCNH2	1
33213146	10.1021/acs.jmedchem.0c01195	Beta-2 adrenergic receptor	1
37468498	10.1038/s41467-023-40064-9	Glutamate receptor ionotropic, NMDA 1	1
37468498	10.1038/s41467-023-40064-9	Beta-1 adrenergic receptor	1
37468498	10.1038/s41467-023-40064-9	Beta-2 adrenergic receptor	1
37468498	10.1038/s41467-023-40064-9	Sodium-dependent dopamine transporter	1
30912944	10.1021/acs.jmedchem.9b00115	Unchecked	1
30912944	10.1021/acs.jmedchem.9b00115	enterovirus D68	1
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2C	1
37468498	10.1038/s41467-023-40064-9	Adenosine receptor A1	1

Data from ChEMBL 36 via Core Engine