VILANTEROL

Search structure
Synonyms:
Status: Approved (2013)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 028LZY775B

Structure
InChI Key DAFYYTQWSAWIGS-DEOSSOPVSA-N
Smile OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O
InChI
InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H33Cl2NO5
Molecular Weight 486.44
AlogP 4.61
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 16.0
Polar Surface Area 91.18
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Primary Target
β2-adrenoceptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 9.68-59.31

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials
Asthma 3 D001249 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 503068-34-6
ChEBI 75037
ChEMBL CHEMBL1198857
DrugBank DB09082
DrugCentral 4799
EPA CompTox DTXSID80198318
FDA SRS 028LZY775B
Guide to Pharmacology 7353
PubChem 10184665
SureChEMBL SCHEMBL142630
ZINC ZINC000003991624
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