ARIPIPRAZOLE LAUROXIL

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Search structure


Trade Names	ARISTADA ARISTADA INITIO KIT
Synonyms	ALKS 9072 ALKS-9070 ALKS-9072 Aripiprazole lauroxil Aristada Aristada initio Aristada initio kit RDC-3317 RDC3317
Status
Molecule Category	UNKNOWN
UNII	B786J7A343
EPA CompTox	DTXSID60154997


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

Structure


InChI Key	DDINXHAORAAYAD-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21
InChI	InChI=1S/C36H51Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-16-35(43)45-28-41-33-27-30(19-17-29(33)18-20-34(41)42)44-26-12-11-21-39-22-24-40(25-23-39)32-15-13-14-31(37)36(32)38/h13-15,17,19,27H,2-12,16,18,20-26,28H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C36H51Cl2N3O4
Molecular Weight	660.73
AlogP	8.68
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	19.0
Polar Surface Area	62.32
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	45.0

Bioactivity

Mechanism of Action	Action	Reference
Dopamine D2 receptor partial agonist	PARTIAL AGONIST	DailyMed


Protein: Serotonin 1a (5-HT1a) receptor Description: 5-hydroxytryptamine receptor 1A Organism : Homo sapiens P08908 ENSG00000178394










Protein: Dopamine D2 receptor Description: D(2) dopamine receptor Organism : Homo sapiens P14416 ENSG00000149295











Protein: Serotonin 2a (5-HT2a) receptor Description: 5-hydroxytryptamine receptor 2A Organism : Homo sapiens P28223 ENSG00000102468

Related Entries

Cross References

Resources	Reference
ChEBI	90930
ChEMBL	CHEMBL2219425
DrugBank	DB14185
DrugCentral	5052
FDA SRS	B786J7A343
PharmGKB	PA166161216
PubChem	49831411
SureChEMBL	SCHEMBL1044330
ZINC	ZINC000095564895

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).