Nag 26   Click here for help

GtoPdb Ligand ID: 9305

Synonyms: compound 26 [PMID: 26267383] | Nag26
Compound class: Synthetic organic
Comment: Compound 26 is a non-peptide, selective OX2 receptor agonist [2]. Different studies have suggested OX2-selectivity 10-100-fold [2] (Ca2+ elevation assay; normalized to the orexin-A data) and also potential biased signaling [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 125.22
Molecular weight 586.22
XLogP 5.42
No. Lipinski's rules broken 2
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Canonical SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C
Isomeric SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C
InChI InChI=1S/C32H34N4O5S/c1-22-8-5-10-25(18-22)31(37)34-17-16-33-27-12-7-13-28(21-27)35-42(39,40)30-20-24(14-15-29(30)41-4)23-9-6-11-26(19-23)32(38)36(2)3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 26 [PMID: 26267383] | Nag26
Database Links Click here for help
Specialist databases
GPCRdb Ligand Nag 26
Other databases
GtoPdb PubChem SID 318164824
PubChem CID 91810287
Search Google for chemical match using the InChIKey RHLMXWCISNJNDH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RHLMXWCISNJNDH
UniChem Compound Search for chemical match using the InChIKey RHLMXWCISNJNDH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RHLMXWCISNJNDH-UHFFFAOYSA-N