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Ligand

NameCHEMBL465377
Molecular formulaC30H32ClNO5
IUPAC nameethyl 3-(4-chlorophenyl)-2-[1,4-dioxaspiro[4.5]decan-8-yl(naphthalene-1-carbonyl)amino]propanoate
Molecular weight522.038
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.3
SynonymsBDBM50266072
(+/-)-ethyl 2-(N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-naphthamido)-3-(4-chlorophenyl)propanoate
Inchi KeyBBJLFAYVLUMMBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H32ClNO5/c1-2-35-29(34)27(20-21-10-12-23(31)13-11-21)32(24-14-16-30(17-15-24)36-18-19-37-30)28(33)26-9-5-7-22-6-3-4-8-25(22)26/h3-13,24,27H,2,14-20H2,1H3
PubChem CID44581449
ChEMBLCHEMBL465377
IUPHARN/A
BindingDB50266072
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
19546C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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