TAK-653

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Search structure


Synonyms	Tak-653
Status
Molecule Category	Free-form
UNII	9E3TOE5RIZ

Structure


InChI Key	PXJBHEHFVQVDDS-UHFFFAOYSA-N
Smiles	CC1=CN2CCS(=O)(=O)N=C2C(c2ccc(OC3CCCCC3)cc2)=N1
InChI	InChI=1S/C19H23N3O3S/c1-14-13-22-11-12-26(23,24)21-19(22)18(20-14)15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H23N3O3S
Molecular Weight	373.48
AlogP	3.11
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	3.0
Polar Surface Area	71.33
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	26.0

Pharmacology

Mechanism of Action	Action	Reference
Glutamate receptor ionotropic AMPA positive allosteric modulator	POSITIVE ALLOSTERIC MODULATOR	PubMed Other

Target Conservation


Protein: Glutamate receptor ionotropic AMPA Description: Glutamate receptor 1 Organism : Homo sapiens P42261 ENSG00000155511












Protein: Glutamate receptor ionotropic AMPA Description: Glutamate receptor 2 Organism : Homo sapiens P42262 ENSG00000120251











Protein: Glutamate receptor ionotropic AMPA Description: Glutamate receptor 3 Organism : Homo sapiens P42263 ENSG00000125675












Protein: Glutamate receptor ionotropic AMPA Description: Glutamate receptor 4 Organism : Homo sapiens P48058 ENSG00000152578

Cross References

Resources	Reference
ChEMBL	CHEMBL4594403
FDA SRS	9E3TOE5RIZ
PDB	0YK
PubChem	56655833
SureChEMBL	SCHEMBL622985

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