EcoDrugPlus


Synonyms	GW-642444 GW-642444X GW642444 GW642444X Vilanterol
Status
Molecule Category	Free-form
UNII	028LZY775B
EPA CompTox	DTXSID80198318

Synonyms

GW-642444

GW-642444X

GW642444

GW642444X

Vilanterol

Status

Molecule Category

Free-form

UNII

028LZY775B

EPA CompTox

DTXSID80198318


InChI Key	DAFYYTQWSAWIGS-DEOSSOPVSA-N
Smiles	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

InChI Key

DAFYYTQWSAWIGS-DEOSSOPVSA-N

Smiles

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

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

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

Resources	Reference
ChEBI	75037
ChEMBL	CHEMBL1198857
DrugBank	DB09082
DrugCentral	4799
FDA SRS	028LZY775B
Guide to Pharmacology	7353
PubChem	10184665
SureChEMBL	SCHEMBL142630
ZINC	ZINC000003991624

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Guide to Pharmacology

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

VILANTEROL

Structure

Physicochemical Descriptors

Cross References