PIROMELATINE

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Synonyms
Status
Molecule Category Free-form
UNII S3UN2146K9
EPA CompTox DTXSID90241566

Structure

InChI Key PNTNBIHOAPJYDB-UHFFFAOYSA-N
Smiles COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)cco3)c2c1
InChI
InChI=1S/C17H16N2O4/c1-22-13-2-3-15-14(9-13)11(10-19-15)4-6-18-17(21)16-8-12(20)5-7-23-16/h2-3,5,7-10,19H,4,6H2,1H3,(H,18,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H16N2O4
Molecular Weight 312.33
AlogP 2.1
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 84.33
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Melatonin receptor agonist AGONIST PubMed

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

Cross References

Resources Reference
ChEMBL CHEMBL4297523
DrugBank DB12288
FDA SRS S3UN2146K9
PubChem 24815904
SureChEMBL SCHEMBL8235551
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