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
SMILES / InChI / InChIKey
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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
InChI Key IABXVJILZYNSTM-GOSISDBHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone
International Nonproprietary Names Click here for help
INN number INN
10095 enerisant
Database Links Click here for help
CAS Registry No. 1152747-82-4 (source: WHO INN record)
GtoPdb PubChem SID 434321728
PubChem CID 42601503
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