SUVN-G3031   Click here for help

GtoPdb Ligand ID: 10232

Compound class: Synthetic organic
Comment: SUVN-G3031 is a potent, orally active histamine H3 receptor inverse agonist, that has demonstrated wake-promoting activity in a rat sleep disorder model [1]. It was synthesised as the dihydrochloride (PubChem CID 60151476). We present the parent molecule here.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 54.04
Molecular weight 373.24
XLogP 1.61
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES O=C(Nc1ccc(cc1)OC1CCN(CC1)C1CCC1)CN1CCOCC1
Isomeric SMILES O=C(Nc1ccc(cc1)OC1CCN(CC1)C1CCC1)CN1CCOCC1
InChI InChI=1S/C21H31N3O3/c25-21(16-23-12-14-26-15-13-23)22-17-4-6-19(7-5-17)27-20-8-10-24(11-9-20)18-2-1-3-18/h4-7,18,20H,1-3,8-16H2,(H,22,25)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand SUVN-G3031
Other databases
CAS Registry No. 1394808-82-2 (source: PubChem)
GtoPdb PubChem SID 381744914
PubChem CID 60151477
Search Google for chemical match using the InChIKey LNXDUSQEXVQFGP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LNXDUSQEXVQFGP
UniChem Compound Search for chemical match using the InChIKey LNXDUSQEXVQFGP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LNXDUSQEXVQFGP-UHFFFAOYSA-N