GW468816

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Search structure


Synonyms	Gw-468816 Gw468816
Status
Molecule Category	Free-form
UNII	3WGI8FOO62

Structure


InChI Key	XDKRVNKVAKCFGW-FOCLMDBBSA-N
Smiles	O=C(O)C1C/C(=C2/CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1
InChI	InChI=1S/C20H17ClN2O3/c21-12-6-7-14-16(11-18(20(25)26)22-17(14)10-12)15-8-9-23(19(15)24)13-4-2-1-3-5-13/h1-7,10,18,22H,8-9,11H2,(H,25,26)/b16-15+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H17ClN2O3
Molecular Weight	368.82
AlogP	3.8
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	69.64
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	26.0

Pharmacology

Mechanism of Action	Action	Reference
Glutamate [NMDA] receptor antagonist	ANTAGONIST	PubMed

Target Conservation


Protein: Glutamate [NMDA] receptor Description: Glutamate receptor ionotropic, NMDA 2D Organism : Homo sapiens O15399 ENSG00000105464












Protein: Glutamate [NMDA] receptor Description: Glutamate receptor ionotropic, NMDA 3B Organism : Homo sapiens O60391 ENSG00000116032










Protein: Glutamate [NMDA] receptor Description: Glutamate receptor ionotropic, NMDA 1 Organism : Homo sapiens Q05586 ENSG00000176884













Protein: Glutamate [NMDA] receptor Description: Glutamate receptor ionotropic, NMDA 2A Organism : Homo sapiens Q12879 ENSG00000183454











Protein: Glutamate [NMDA] receptor Description: Glutamate receptor ionotropic, NMDA 2B Organism : Homo sapiens Q13224 ENSG00000273079











Protein: Glutamate [NMDA] receptor Description: Glutamate receptor ionotropic, NMDA 2C Organism : Homo sapiens Q14957 ENSG00000161509











Protein: Glutamate [NMDA] receptor Description: Glutamate receptor ionotropic, NMDA 3A Organism : Homo sapiens Q8TCU5 ENSG00000198785

Cross References

Resources	Reference
ChEMBL	CHEMBL1207366
FDA SRS	3WGI8FOO62
SureChEMBL	SCHEMBL5750612

CONTENTS

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...

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Last update: Monday, 3 November 2025