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Ligand

NameCHEMBL522158
Molecular formulaC30H32Cl2N4O4
IUPAC name8-[2-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]oxyethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight583.51
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50412757
SCHEMBL4679383
Inchi KeyAAFIDRUCDKVRAX-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H32Cl2N4O4/c31-24-9-8-22(19-25(24)32)30(12-15-35(20-30)27(37)26-7-4-17-39-26)40-18-16-34-13-10-29(11-14-34)28(38)33-21-36(29)23-5-2-1-3-6-23/h1-9,17,19H,10-16,18,20-21H2,(H,33,38)
PubChem CID10371054
ChEMBLCHEMBL522158
IUPHARN/A
BindingDB50412757
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
164C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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