GSK2245035   Click here for help

GtoPdb Ligand ID: 9254

Synonyms: compound 32 [PMID: 26861551]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GSK2245035 is reported as a selective Toll-like receptor 7 (TLR7) agonist, with potential clinical action as an intranasally administered anti-asthmatic [2]. It is Example 22 claimed in patent WO2010018133 [3].

The TLR7- IFNα pathway is a novel pathway being investigated for pharmacological intervention in allergic asthma.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 102.06
Molecular weight 390.27
XLogP 3.19
No. Lipinski's rules broken 0
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Canonical SMILES CCCC(Oc1nc(N)c2c(n1)n(CCCCCN1CCCCC1)c(=O)[nH]2)C
Isomeric SMILES CCC[C@@H](Oc1nc(N)c2c(n1)n(CCCCCN1CCCCC1)c(=O)[nH]2)C
InChI InChI=1S/C20H34N6O2/c1-3-10-15(2)28-19-23-17(21)16-18(24-19)26(20(27)22-16)14-9-5-8-13-25-11-6-4-7-12-25/h15H,3-14H2,1-2H3,(H,22,27)(H2,21,23,24)/t15-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 32 [PMID: 26861551]
Database Links Click here for help
GtoPdb PubChem SID 315661329
PubChem CID 44623937
Search Google for chemical match using the InChIKey LFMPVTVPXHNXOT-HNNXBMFYSA-N
Search Google for chemicals with the same backbone LFMPVTVPXHNXOT
UniChem Compound Search for chemical match using the InChIKey LFMPVTVPXHNXOT-HNNXBMFYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LFMPVTVPXHNXOT-HNNXBMFYSA-N