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Ligand

NameCHEMBL315299
Molecular formulaC29H31N7O3
IUPAC name1-(1H-indazol-5-yl)-3-[2-oxo-1-[[3-(propan-2-ylcarbamoylamino)phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]urea
Molecular weight525.613
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP3.4
Synonyms1-[3-(3-Isopropylureido)benzyl]-3-[3-(1H-indazole-5-yl)ureido]-4,5-dihydro-1H-1-benzazepine-2(3H)-one
1-(1H-Indazol-5-yl)-3-{1-[3-(3-isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea
BDBM50078959
Inchi KeyBRLBNIBPJJVSFE-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31N7O3/c1-18(2)31-28(38)32-22-8-5-6-19(14-22)17-36-26-9-4-3-7-20(26)10-12-25(27(36)37)34-29(39)33-23-11-13-24-21(15-23)16-30-35-24/h3-9,11,13-16,18,25H,10,12,17H2,1-2H3,(H,30,35)(H2,31,32,38)(H2,33,34,39)
PubChem CID10554097
ChEMBLCHEMBL315299
IUPHARN/A
BindingDB50078959
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
31096Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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