brexpiprazole   Click here for help

GtoPdb Ligand ID: 7672

Synonyms: OPC 34712 | OPC-34712 | Rxulti®
Approved drug
brexpiprazole is an approved drug (FDA (2015), EMA (2018))
Compound class: Synthetic organic
Comment: Brexpiprazole is a serotonin-dopamine activity modulator (SDAM) [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 76.81
Molecular weight 433.18
XLogP 5.36
No. Lipinski's rules broken 1
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Canonical SMILES O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2
Isomeric SMILES O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2
InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2015), EMA (2018))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9552 brexpiprazole
Synonyms Click here for help
OPC 34712 | OPC-34712 | Rxulti®
Database Links Click here for help
Specialist databases
GPCRdb Ligand brexpiprazole
Other databases
CAS Registry No. 913611-97-9
ChEMBL Ligand CHEMBL2105760
DrugCentral Ligand 5014
GtoPdb PubChem SID 223366007
PubChem CID 11978813
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Wikipedia Brexpiprazole