(R)-YNT-3708   Click here for help

GtoPdb Ligand ID: 12606

Synonyms: (R)-18 [PMID: 37043436]
Compound class: Synthetic organic
Comment: (R)-YNT-3708 is an OX1 orexin receptor agonist [1]. In a calcium mobilization assay it was ~22x more potent at OX1 compared to OX2.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 134.78
Molecular weight 640.75
XLogP 1.3
No. Lipinski's rules broken 2
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Canonical SMILES CN([C@@H]1CCCC2=CC=C(C=C21)NS(=O)(=O)C3=CC(=CC=C3OC)/C=C/C(=O)NC4=CC=NC=C4)C(=O)CC5=CC=CC(=C5)OC
Isomeric SMILES O=C(/C=C/C1=CC=C(OC)C(S(NC2=CC3=C(CCC[C@H]3N(C(CC4=CC(OC)=CC=C4)=O)C)C=C2)(=O)=O)=C1)NC5=CC=NC=C5
InChI InChI=1S/C35H36N4O6S/c1-39(35(41)22-25-6-4-8-29(20-25)44-2)31-9-5-7-26-12-13-28(23-30(26)31)38-46(42,43)33-21-24(10-14-32(33)45-3)11-15-34(40)37-27-16-18-36-19-17-27/h4,6,8,10-21,23,31,38H,5,7,9,22H2,1-3H3,(H,36,37,40)/b15-11+/t31-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
(R)-18 [PMID: 37043436]
Database Links Click here for help
Specialist databases
GPCRdb Ligand (R)-YNT-3708
Other databases
GtoPdb PubChem SID 479821396
PubChem CID 167993664
Search Google for chemical match using the InChIKey CUXJBONFEXBSTQ-YTUVCLRASA-N
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UniChem Compound Search for chemical match using the InChIKey CUXJBONFEXBSTQ-YTUVCLRASA-N
UniChem Connectivity Search for chemical match using the InChIKey CUXJBONFEXBSTQ-YTUVCLRASA-N