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Ligand

NameCHEMBL1813320
Molecular formulaC27H40N4O4
IUPAC nameN-[2-[3-[5-[3-[2-acetamidoethyl(methyl)amino]phenoxy]pentoxy]-N-methylanilino]ethyl]acetamide
Molecular weight484.641
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50419038
Inchi KeyBEXBBEIMOAMOKQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H40N4O4/c1-22(32)28-14-16-30(3)24-10-8-12-26(20-24)34-18-6-5-7-19-35-27-13-9-11-25(21-27)31(4)17-15-29-23(2)33/h8-13,20-21H,5-7,14-19H2,1-4H3,(H,28,32)(H,29,33)
PubChem CID56678563
ChEMBLCHEMBL1813320
IUPHARN/A
BindingDB50419038
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
22006Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
22007Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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