UCM1341   Click here for help

GtoPdb Ligand ID: 12324

Synonyms: compound 29 [PMID: 30126274] | UCM-1341
Compound class: Synthetic organic
Comment: UCM1341 is a bivalent compound that combines the pharmacophore elements of a melatonin receptor agonist and a fatty acid amide hydrolase (FAAH) inhibitor (derived from URB597) [2]. It was originally reported for potential benefits for the treatment of glaucoma (inducing an ocular hypotensive effect in vivo) [2]. More recently data has been published which supports activity that is neuroprotective and which promotes resolution of inflammation (in a rodent hippocampal explant model of neuroinflammatory damage) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 16
Topological polar surface area 92.45
Molecular weight 591.17
XLogP 7.02
No. Lipinski's rules broken 2
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Canonical SMILES CC(=O)NCCc1c(Br)[nH]c2c1cc(OCCCCCCNC(=O)Oc1cccc(c1)c1ccccc1)cc2
Isomeric SMILES O=C(C)NCCc1c(Br)[nH]c2c1cc(cc2)OCCCCCCNC(=O)Oc1cc(ccc1)c1ccccc1
InChI InChI=1S/C31H34BrN3O4/c1-22(36)33-18-16-27-28-21-25(14-15-29(28)35-30(27)32)38-19-8-3-2-7-17-34-31(37)39-26-13-9-12-24(20-26)23-10-5-4-6-11-23/h4-6,9-15,20-21,35H,2-3,7-8,16-19H2,1H3,(H,33,36)(H,34,37)
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
compound 29 [PMID: 30126274] | UCM-1341
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Specialist databases
GPCRdb Ligand UCM1341
Other databases
BindingDB Ligand 50458979
ChEMBL Ligand CHEMBL4210086
GtoPdb PubChem SID 479821115
PubChem CID 145966622
Search Google for chemical match using the InChIKey SVUSBZIJILRPDJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SVUSBZIJILRPDJ
UniChem Compound Search for chemical match using the InChIKey SVUSBZIJILRPDJ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SVUSBZIJILRPDJ-UHFFFAOYSA-N