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Ligand

NameCHEMBL3665775
Molecular formulaC29H31F3N4O4
IUPAC name4-[8-[[1-butyl-3-[(2,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
Molecular weight556.586
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP2.4
SynonymsBDBM123191
SCHEMBL14957851
US8742110, 1-40
Inchi KeyAYLXOSBBMMHOBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31F3N4O4/c1-2-3-10-35-17-21(26(33-35)14-20-13-24(31)25(32)15-23(20)30)16-34-11-8-29(9-12-34)18-36(28(39)40-29)22-6-4-19(5-7-22)27(37)38/h4-7,13,15,17H,2-3,8-12,14,16,18H2,1H3,(H,37,38)
PubChem CID56848125
ChEMBLCHEMBL3665775
IUPHARN/A
BindingDB123191
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
17575Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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