TASIMELTEON

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N05CH03
UNII SHS4PU80D9
EPA CompTox DTXSID70209826

Structure

InChI Key PTOIAAWZLUQTIO-GXFFZTMASA-N
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H19NO2
Molecular Weight 245.32
AlogP 2.25
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 18.0

Pharmacology

Mechanism of Action Action Reference
Melatonin receptor agonist AGONIST FDA

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 79042
ChEMBL CHEMBL2103822
DrugBank DB09071
DrugCentral 4820
FDA SRS SHS4PU80D9
Guide to Pharmacology 7393
PubChem 10220503
SureChEMBL SCHEMBL3505912
ZINC ZINC000004392649
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