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Ligand

NameCHEMBL90497
Molecular formulaC28H30FN5O3
IUPAC name1-(4-fluorophenyl)-3-[2-oxo-1-[[3-(propan-2-ylcarbamoylamino)phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]urea
Molecular weight503.578
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.8
Synonyms1-(4-Fluoro-phenyl)-3-{1-[3-(3-isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea
BDBM50078985
1-[3-(3-Isopropylureido)benzyl]-3-[3-(4-fluorophenyl)ureido]-4,5-dihydro-1H-1-benzazepine-2(3H)-one
Inchi KeyBRCLFLLOHDAGCV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30FN5O3/c1-18(2)30-27(36)32-23-8-5-6-19(16-23)17-34-25-9-4-3-7-20(25)10-15-24(26(34)35)33-28(37)31-22-13-11-21(29)12-14-22/h3-9,11-14,16,18,24H,10,15,17H2,1-2H3,(H2,30,32,36)(H2,31,33,37)
PubChem CID10744091
ChEMBLCHEMBL90497
IUPHARN/A
BindingDB50078985
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
30877Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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