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Ligand

Name(hydroxymethylphenyl)agomelatine
Molecular formulaC22H23NO3
IUPAC nameN-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
Molecular weight349.43
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
SynonymsGTPL7922
BDBM50263659
SCHEMBL5929469
compound 21 [PMID: 18778943]
N-[2-(3-(3-hydroxymethylphenyl)-7-methoxynaphth-1-yl)ethyl] acetamide
[ Show all ]
Inchi KeyBHDVJMSEODZSTD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13,24H,8-9,14H2,1-2H3,(H,23,25)
PubChem CID9798456
ChEMBLCHEMBL476131
IUPHAR7922
BindingDB50263659
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23666Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
23665Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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