tenapanor

Ligand id: 8449

Name: tenapanor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 6
Rotatable bonds 33
Topological polar surface area 234.76
Molecular weight 1142.31
XLogP 4.43
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea
International Nonproprietary Names
INN number INN
9652 tenapanor
Synonyms
AZD-1722 | AZD1722 | RDX-5791
Database Links
CAS Registry No. 1234423-95-6-0
ChEMBL Ligand CHEMBL3304485
PubChem CID 71587953
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Search UniChem for chemical match using the InChIKey DNHPDWGIXIMXSA-CXNSMIOJSA-N
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Wikipedia Tenapanor
Comments
Tenapanor is an inhibitor of the sodium/hydrogen exchanger 3 (NHE3, gene symbol SLC9A3) [4]. Tenapanor is Compound 236 in patent US8541448 [1].