AZD-9164


Synonyms	AZD9164 Azd 9164 Azd-9164 Azd9164 J3.232.015E
Status
Molecule Category	UNKNOWN
UNII	977LWC4O5D


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

Structure


InChI Key	FNYFFCOCVNTJCD-NNMXADRKSA-N
Smiles	C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccc(F)cc3)CCC1CC2)(c1ccccc1)N1CCCCC1
InChI	InChI=1S/C29H38FN2O2/c1-29(25-8-4-2-5-9-25,31-17-6-3-7-18-31)28(33)34-27-22-32(20-15-24(27)16-21-32)19-14-23-10-12-26(30)13-11-23/h2,4-5,8-13,24,27H,3,6-7,14-22H2,1H3/q+1/t24?,27-,29-,32?/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C29H38FN2O2+
Molecular Weight	465.63
AlogP	4.92
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	7.0
Polar Surface Area	29.54
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	34.0

Assay Description	Organism	Bioactivity
Displacement of [3H]NMS from recombinant human M3 receptor expressed in CHO-K1 cells after 16 hrs	Homo sapiens	0.1585 nM
Antagonist potency at M3 receptor in Dunkin Hartley guinea pig trachea assessed as inhibition of methacholine-induced airway smooth muscle contraction after 1 hr by organ-bath technique	Cavia porcellus	0.05012 nM
Bronchoprotection activity in Dunkin Hartley guinea pig assessed as inhibition of methacholine-induced bronchoconstriction at ED80 administered intratracheally measured at 18 hrs post treatment	Cavia porcellus	50.0 %
Inhibition of pilocarpine-induced salivation in intranasally dosed guinea pig after 4 hrs measured for a period of 15 mins	Cavia porcellus	100.0 ug/kg

Cross References

Resources	Reference
ChEMBL	CHEMBL1921904
DrugBank	DB12115
FDA SRS	977LWC4O5D
PubChem	44517831
SureChEMBL	SCHEMBL524071
ZINC	ZINC000043196332

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).