PSB-17365   Click here for help

GtoPdb Ligand ID: 9871

Synonyms: compound 48 [Pillaiyar et al., 2018] | PSB17365
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: PSB-17365 is the most potent of a series of synthetic GPR84 agonists reported by Pillaiyar et al. (2018) [1]. This compound is a stable experimental tool that is suitable for in vitro and in vivo studies designed to further clarify the physiological role(s) of GPR84 and examine its therapeutic potential.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 77.75
Molecular weight 309.01
XLogP 2.86
No. Lipinski's rules broken 0
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Canonical SMILES Brc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1
Isomeric SMILES Brc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1
InChI InChI=1S/C12H12BrN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 48 [Pillaiyar et al., 2018] | PSB17365
Database Links Click here for help
Specialist databases
GPCRdb Ligand PSB-17365
Other databases
GtoPdb PubChem SID 363894165
PubChem CID 133081959
Search Google for chemical match using the InChIKey XGNIAOMGYRRHNY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XGNIAOMGYRRHNY
UniChem Compound Search for chemical match using the InChIKey XGNIAOMGYRRHNY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XGNIAOMGYRRHNY-UHFFFAOYSA-N