AZD2066


Synonyms	Azd 2066 Azd-2066 Azd2066
Status
Molecule Category	UNKNOWN
UNII	MQ908Y1ZB2


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

Structure


InChI Key	SXWHYTICXCLKDG-GFCCVEGCSA-N
Smiles	C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1cc(-c2cccc(Cl)c2)on1
InChI	InChI=1S/C19H16ClN5O2/c1-12(16-11-17(27-24-16)14-4-3-5-15(20)10-14)26-19-23-22-18(25(19)2)13-6-8-21-9-7-13/h3-12H,1-2H3/t12-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H16ClN5O2
Molecular Weight	381.82
AlogP	4.33
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	5.0
Polar Surface Area	78.86
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	27.0

Bioactivity

Mechanism of Action	Action	Reference
Metabotropic glutamate receptor 5 modulator	MODULATOR	PMC PubMed


Protein: Metabotropic glutamate receptor 5 Description: Metabotropic glutamate receptor 5 Organism : Homo sapiens P41594 ENSG00000168959

Cross References

Resources	Reference
ChEMBL	CHEMBL3545164
DrugBank	DB12644
FDA SRS	MQ908Y1ZB2
SureChEMBL	SCHEMBL1848325
ZINC	ZINC000034885049

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).