ABEDITEROL

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Synonyms:	Abediterol LAS-100977 LAS100977
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UKNOWN
UNII:	QXA167CM6F

Structure


InChI Key	SFYAXIFVXBKRPK-QFIPXVFZSA-N
Smile	O=c1ccc2c([C@@H](O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(O)c2[nH]1
InChI	InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H30F2N2O4
Molecular Weight	460.52
AlogP	4.23
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	13.0
Polar Surface Area	94.58
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	33.0

Pharmacology

Action	Mechanism of Action	Reference
AGONIST	Beta-2 adrenergic receptor agonist	PubMed

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Asthma	2	D001249	ClinicalTrials
Pulmonary Disease, Chronic Obstructive	2	D029424	ClinicalTrials

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Cross References

Resources	Reference
ChEBI	142077
ChEMBL	CHEMBL3039530
DrugBank	DB12100
EPA CompTox	DTXSID60238605
FDA SRS	QXA167CM6F
Guide to Pharmacology	9326
SureChEMBL	SCHEMBL241483
ZINC	ZINC000043150941

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