RAMELTEON

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N05CH02
UNII 901AS54I69

Structure

InChI Key YLXDSYKOBKBWJQ-LBPRGKRZSA-N
Smiles CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H21NO2
Molecular Weight 259.35
AlogP 2.57
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 38.33
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Melatonin receptor agonist AGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine-derivative receptor (family A GPCR) Melatonin receptor
- - - 0.0138-0.112 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 113.38-127.58
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 113.38-127.58
Homo sapiens
- - - 0.0138-0.112 -
Rattus norvegicus
0.89-3.1 0.0208 - 0.03-2 -

Target Conservation

Protein: Melatonin receptor
Description: Melatonin receptor type 1A
Organism : Homo sapiens
P48039 ENSG00000168412
Protein: Melatonin receptor
Description: Melatonin receptor type 1B
Organism : Homo sapiens
P49286 ENSG00000134640

Related Entries

Cross References

Resources Reference
ChEBI 109549
ChEMBL CHEMBL1218
DrugBank DB00980
DrugCentral 2355
FDA SRS 901AS54I69
Human Metabolome Database HMDB0015115
Guide to Pharmacology 1356
KEGG D02689
PDB JEV
PharmGKB PA164744896
PubChem 208902
SureChEMBL SCHEMBL29237
ZINC ZINC000003960338
CONTENTS