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Ligand

NameCHEMBL361854
Molecular formulaC26H33NO2
IUPAC name2-methyl-N-[[(1R,2R)-2-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]cyclopropyl]methyl]propanamide
Molecular weight391.555
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50161376
N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl)-2,3-dihydro-benzofuran-4-yl]-cyclopropylmethyl}-isobutyramide
SCHEMBL7171831
Inchi KeyAUIXCKPTMHYMPU-QZNHQXDQSA-N
Inchi IDInChI=1S/C26H33NO2/c1-18(2)26(28)27-17-20-15-23(20)22-13-8-14-25-24(22)16-21(29-25)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,18,20-21,23H,6-7,11-12,15-17H2,1-2H3,(H,27,28)/t20-,21+,23+/m0/s1
PubChem CID20590665
ChEMBLCHEMBL361854
IUPHARN/A
BindingDB50161376
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
14671Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
14670Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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