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Ligand

NameCHEMBL243003
Molecular formulaC22H30N2O
IUPAC nameN-[[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclohexyl]methyl]butanamide
Molecular weight338.495
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50423061
Inchi KeyIQUVSIBCTHRJMK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N2O/c1-2-8-20(25)23-16-22(12-4-3-5-13-22)19-15-24-14-7-10-17-9-6-11-18(19)21(17)24/h6,9,11,15H,2-5,7-8,10,12-14,16H2,1H3,(H,23,25)
PubChem CID16743288
ChEMBLCHEMBL243003
IUPHARN/A
BindingDB50423061
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
139666Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
139665Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362
139664Melatonin receptor type 1CP49219mtnr1cXenopus laevis (African clawed frog)420

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