enerisant   Click here for help

GtoPdb Ligand ID: 11293

Compound class: Synthetic organic
Comment: Enerisant is a selective histamine H3 receptor antagonist/inverse agonist that was designed by Taisho Pharmaceutical Co. [1]. It exerts wake-promoting and procognitive effects in rodents.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 59.31
Molecular weight 398.23
XLogP 2.32
No. Lipinski's rules broken 0
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Canonical SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)n1ncc(c1)C(=O)N1CCOCC1
Isomeric SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)n1ncc(c1)C(=O)N1CCOCC1
InChI InChI=1S/C22H30N4O3/c1-18-4-2-9-24(18)10-3-13-29-21-7-5-20(6-8-21)26-17-19(16-23-26)22(27)25-11-14-28-15-12-25/h5-8,16-18H,2-4,9-15H2,1H3/t18-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10095 enerisant
Database Links Click here for help
Specialist databases
GPCRdb Ligand enerisant
Other databases
CAS Registry No. 1152747-82-4 (source: WHO INN record)
GtoPdb PubChem SID 434321728
PubChem CID 42601503
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