RISLENEMDAZ


Synonyms	CERC-301 Cerc-301 MK-0657 MK-0657, (-)- Rislenemdaz Rislenemdaz, (-)-
Status
Molecule Category	UNKNOWN
UNII	5HAM167S5T


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	RECBFDWSXWAXHY-IAGOWNOFSA-N
Smiles	Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
InChI	InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H23FN4O2
Molecular Weight	358.42
AlogP	3.19
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	67.35
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	26.0

Bioactivity

Mechanism of Action	Action	Reference
Glutamate NMDA receptor; GRIN1/GRIN2B antagonist	ANTAGONIST	PubMed Other PubMed


Protein: Glutamate NMDA receptor; GRIN1/GRIN2B Description: Glutamate receptor ionotropic, NMDA 1 Organism : Homo sapiens Q05586 ENSG00000176884












Protein: Glutamate NMDA receptor; GRIN1/GRIN2B Description: Glutamate receptor ionotropic, NMDA 2B Organism : Homo sapiens Q13224 ENSG00000273079

Cross References

Resources	Reference
ChEMBL	CHEMBL2068839
DrugBank	DB12063
FDA SRS	5HAM167S5T
PubChem	11394238
SureChEMBL	SCHEMBL4469674
ZINC	ZINC000006716889

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).