ramelteon   Click here for help

GtoPdb Ligand ID: 1356

Synonyms: Rozerem® | TAK-375 | TAK375
Approved drug PDB Ligand
ramelteon is an approved drug (FDA (2005))
Compound class: Synthetic organic
Comment: Ramelteon is a non-selective melatonin receptor agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 38.33
Molecular weight 259.16
XLogP 2.45
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC(=O)NCCC1CCc2c1c1CCOc1cc2
Isomeric SMILES CCC(=O)NCC[C@@H]1CCc2c1c1CCOc1cc2
InChI InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
InChI Key YLXDSYKOBKBWJQ-LBPRGKRZSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2005))
IUPAC Name Click here for help
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzoxol-8-yl]ethyl]propanamide
International Nonproprietary Names Click here for help
INN number INN
8447 ramelteon
Synonyms Click here for help
Rozerem® | TAK-375 | TAK375
Database Links Click here for help
BindingDB Ligand 50118470
CAS Registry No. 196597-26-9
ChEBI CHEBI:321962
ChEMBL Ligand CHEMBL1218
DrugBank Ligand DB00980
DrugCentral Ligand 2355
GtoPdb PubChem SID 135651228
PubChem CID 208902
RCSB PDB Ligand JEV
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Wikipedia Ramelteon

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Tocris
TAK 375
Cat. No. 6777