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Ligand

NameCHEMBL262904
Molecular formulaC29H34N6O3
IUPAC name1-[3-[[3-[[N-(4-hydroxyphenyl)-N'-methylcarbamimidoyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-3-propan-2-ylurea
Molecular weight514.63
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP3.6
Synonyms1-(3-{3-[N''-(4-Hydroxy-phenyl)-N''''-methyl-guanidino]-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-phenyl)-3-isopropyl-urea
BDBM50079009
SCHEMBL8354018
1-[3-(3-Isopropylureido)benzyl]-3-[3-methyl-2-(4-hydroxyphenyl)guanidino]-4,5-dihydro-1H-1-benzazepine-2(3H)-one
Inchi KeyBEAHHIZXBVFZJP-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H34N6O3/c1-19(2)31-29(38)33-23-9-6-7-20(17-23)18-35-26-10-5-4-8-21(26)11-16-25(27(35)37)34-28(30-3)32-22-12-14-24(36)15-13-22/h4-10,12-15,17,19,25,36H,11,16,18H2,1-3H3,(H2,30,32,34)(H2,31,33,38)
PubChem CID9806521
ChEMBLCHEMBL262904
IUPHARN/A
BindingDB50079009
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
21385Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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