JEV

N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide

Created:	2018-09-06
Last modified:	2021-03-01

Find Related PDB Entry
5 entries where JEV is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	1
Bond Count	42
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide
Synonyms	Ramelteon
Systematic Name (OpenEye OEToolkits)	~{N}-[2-[(8~{S})-2,6,7,8-tetrahydro-1~{H}-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
Formula	C₁₆ H₂₁ N O₂
Molecular Weight	259.343
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(NC(CC)=O)CC3CCc2ccc1OCCc1c23
SMILES	CACTVS	3.385	CCC(=O)NCC[CH]1CCc2ccc3OCCc3c12
SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3
Canonical SMILES	CACTVS	3.385	CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3
InChI	InChI	1.03	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
InChIKey	InChI	1.03	YLXDSYKOBKBWJQ-LBPRGKRZSA-N

Drug Info: DrugBank

DrugBank ID	DB00980
Name	Ramelteon
Groups	approved investigational
Description	Ramelteon is the first in a new class of sleep agents that selectively binds to the melatonin receptors in the suprachiasmatic nucleus (SCN). It is used for insomnia, particularly delayed sleep onset. Ramelteon has not been shown to produce dependence and has shown no potential for abuse.
Synonyms	Ramelteon
Brand Names	Ramelteon Rozerem
Indication	For the treatment of insomnia characterized by difficulty with sleep onset.
Categories	Central Nervous System Depressants Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Hypnotics and Sedatives Melatonin Receptor Agonists Nervous System Psycholeptics
ATC-Code	N05CH02
CAS number	196597-26-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Melatonin receptor type 1B	MSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVT...	unknown	multitarget
Melatonin receptor type 1A	MQGNGSALPNASQPVLRGDGARPSWLASALACVLIFTIVVDILGNLLVIL...	unknown	multitarget
Cytochrome P450 2C19	MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDV...	unknown	substrate
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
Cytochrome P450 2C9	MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI...	unknown	substrate
Cytochrome P450 1A2	MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...	unknown	substrate
View More

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682