IBD Research Resource Center

BioID	bio3336
Name	RAMELTEON
ChEMBL ID	CHEMBL1218
Molecular Formula	C16H21NO2
Molecular Weight	259.35
Molecular Weight (Monoisotopic)	259.1572
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	RAMELTEON\|ROZEREM\|TAK-375\|TAK375
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
Inchi Key	YLXDSYKOBKBWJQ-LBPRGKRZSA-N
Molecular Species	NEUTRAL
Targets	99.0
Bioactivities	187.0
Np Likeness Score	0.17
Records Key	['(S)-(-)-22b', 'RAMELTEON', 'RAMELTEON', 'Ramelteon', 'Ramelteon', 'Ramelteon脢', 'RAMELTEON', 'Ramelteon脗', 'RAMELTEON', 'RAMELTEON', '5017', 'Ramelteon, Rozerem', 'Ramelteon', 'RAMELTEON', '7; TAK-375', 'Ramelteon', 'RAMELTEON', 'RAMELTEON', 'RAMELTEON', 'RAMELTEON', 'Ramelteon', 'RAMELTEON', 'Ramelteon', 'EUB0000918a', 'EUB0000918a', 'EUB0000918a', 'Ramelteon', 'EUB0000918a', 'ramelteon', 'EUB0000918a', 'Ramelteon']
Records Name	['N-[2-(1,6,7,8-Tetrahydro-2H-3-oxa-as-indacen-8-yl)-ethyl]-propionamide(S)-(-)-22b', 'RAMELTEON', 'RAMELTEON', 'Ramelteon', 'Ramelteon', 'Ramelteon脢', 'RAMELTEON', 'Ramelteon脗', 'RAMELTEON', 'RAMELTEON', None, 'Ramelteon', 'Ramelteon', 'RAMELTEON', 'Ramelteon', 'Ramelteon', 'RAMELTEON', 'RAMELTEON', 'RAMELTEON', 'RAMELTEON', 'Ramelteon', 'RAMELTEON', 'Ramelteon', 'Ramelteon', 'Ramelteon', 'Ramelteon', 'Ramelteon', 'Ramelteon', 'ramelteon', 'Ramelteon', 'Ramelteon']
Withdrawn Flag	False
Orphan	0