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Ligand

NameCHEMBL1095196
Molecular formulaC31H33NO5
IUPAC namemethyl 2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]acetate
Molecular weight499.607
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.1
SynonymsN-[2-(7-{4-[8-(Methoxycarbonylmethyl)naphthalen-2-yloxy]butoxy}naphthalen-1-yl)ethyl]acetamide
BDBM50316694
BIDDLRZUESRXIV-UHFFFAOYSA-N
Methyl {7-[4-({8-[2-(acetylamino)ethyl]-2-naphthyl}oxy)butoxy]-1-naphthyl}acetate
Inchi KeyBIDDLRZUESRXIV-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33NO5/c1-22(33)32-16-15-25-9-5-7-23-11-13-27(20-29(23)25)36-17-3-4-18-37-28-14-12-24-8-6-10-26(30(24)21-28)19-31(34)35-2/h5-14,20-21H,3-4,15-19H2,1-2H3,(H,32,33)
PubChem CID46888521
ChEMBLCHEMBL1095196
IUPHARN/A
BindingDB50316694
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24351Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
24350Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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