tasimelteon   Click here for help

GtoPdb Ligand ID: 7393

Synonyms: BMS-214778 | Hetlioz® | VEC-162
Approved drug
tasimelteon is an approved drug (FDA (2014), EMA (2015))
Compound class: Synthetic organic
Comment: Tasimelteon is a melatonin receptor agonist, activating both the MT1 and MT2 receptor subtypes equipotently. Ramelteon and agomelatine are also melatonin receptor agonist class drugs.
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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 245.14
XLogP 1.84
No. Lipinski's rules broken 0
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Canonical SMILES CCC(=O)NCC1CC1c1cccc2c1CCO2
Isomeric SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2
InChI InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2014), EMA (2015))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8985 tasimelteon
Synonyms Click here for help
BMS-214778 | Hetlioz® | VEC-162
Database Links Click here for help
Specialist databases
GPCRdb Ligand tasimelteon
Other databases
CAS Registry No. 609799-22-6
ChEMBL Ligand CHEMBL2103822
DrugCentral Ligand 4820
GtoPdb PubChem SID 178103965
PubChem CID 10220503
Search Google for chemical match using the InChIKey PTOIAAWZLUQTIO-GXFFZTMASA-N
Search Google for chemicals with the same backbone PTOIAAWZLUQTIO
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UniChem Compound Search for chemical match using the InChIKey PTOIAAWZLUQTIO-GXFFZTMASA-N
UniChem Connectivity Search for chemical match using the InChIKey PTOIAAWZLUQTIO-GXFFZTMASA-N
Wikipedia Tasimelteon