Brief Information of the Compound and Protein
Compound Name
(1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-dibenzyl-24-phenyl-10,26-dioxa-8,15,24,31-tetraazaundecacyclo[29.5.2.0^{1,32}.0^{2,7}.0^{8,36}.0^{9,22}.0^{13,21}.0^{15,19}.0^{18,23}.0^{25,35}.0^{29,34}]octatriaconta-2,4,6,12,28-pentaene-15,31-diium dibromide
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PubChem ID
CID: 44427866
Canonical SMILES
C1=C2C[N+]3(Cc4ccccc4)CC[C@@H]4[C@@H]5[C@H]([C@@H](OC1)N1c6ccccc6[C@@]67CC[N+]8(Cc9ccccc9)CC9=CCO[C@H]([C@@H]([C@H]16)[C@H]9C[C@@H]78)N5c1ccccc1)[C@H]2C[C@@H]43.[Br-].[Br-]
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Compound Formula C52H56Br2N4O2
Compound Structure
Protein Name
5-hydroxytryptamine receptor 3A
Protein Classification
Ion channel
>
Ligand-gated ion channel
>
5HT3 receptor
Uniprot ID
P46098
Gene Name
HTR3A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 100000 nM
   TI
   LI
   LO
   TS
2
Ki = 100000 nM
   TI
   LI
   LO
   TS