AZD0328

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Search structure


Synonyms	AZD-0328 Azd 0328 Azd-0328 Azd0328
Status
Molecule Category	UNKNOWN
UNII	2B218X5QIY


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

Structure


InChI Key	OCKIPDMKGPYYJS-ZDUSSCGKSA-N
Smiles	c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2
InChI	InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C13H16N2O
Molecular Weight	216.28
AlogP	1.48
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	25.36
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	16.0

Bioactivity

Mechanism of Action	Action	Reference
Neuronal acetylcholine receptor protein alpha-7 subunit agonist	AGONIST	PubMed PubMed


Protein: Neuronal acetylcholine receptor protein alpha-7 subunit Description: Neuronal acetylcholine receptor subunit alpha-7 Organism : Homo sapiens P36544 ENSG00000175344

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor	-	-	-	12	-
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit	340	-	-	3-3	-
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit	-	-	-	140	-

Assay Description	Organism	Bioactivity	Reference
Binding affinity to human 5HT3A receptor	Homo sapiens	12.0 nM
Binding affinity to human alpha4beta2 nAChR	Homo sapiens	140.0 nM
Agonist activity at human alpha7 nAChR	Homo sapiens	340.0 nM
Binding affinity to human alpha7 nAchR	Homo sapiens	3.0 nM
Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes after 2 hrs by topcount scintillation counting analysis	Rattus norvegicus	5.0 nM
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in HEK293 cell membranes after 2 hrs by topcount scintillation counting analysis	Homo sapiens	3.0 nM

Cross References

Resources	Reference
ChEMBL	CHEMBL2151437
DrugBank	DB12145
FDA SRS	2B218X5QIY
Guide to Pharmacology	7697
SureChEMBL	SCHEMBL1459640
ZINC	ZINC000033961869

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).