PIROMELATINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S3UN2146K9

Structure
InChI Key PNTNBIHOAPJYDB-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Melatonin receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials
Sleep Initiation and Maintenance Disorders 2 D007319 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 946846-83-9
ChEMBL CHEMBL4297523
DrugBank DB12288
EPA CompTox DTXSID90241566
FDA SRS S3UN2146K9
PubChem 24815904
SureChEMBL SCHEMBL8235551
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