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Ligand

NameCHEMBL499729
Molecular formulaC32H51N5O4
IUPAC nameoxan-4-yl 5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
Molecular weight569.791
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50254673
SCHEMBL3962689
tetrahydro-2H-pyran-4-yl 1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
tetrahydropyran-4-yl 11-butyl-3-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methyl-4-piperidyl]-3,9-diazaspiro[5.5]undecane-9-carboxylate
Inchi KeyABQNGYAYTGTYRC-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H51N5O4/c1-5-6-7-26-22-36(30(39)41-27-8-20-40-21-9-27)17-12-32(26)13-18-37(19-14-32)31(4)10-15-35(16-11-31)29(38)28-24(2)33-23-34-25(28)3/h23,26-27H,5-22H2,1-4H3
PubChem CID25230896
ChEMBLCHEMBL499729
IUPHARN/A
BindingDB50254673
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
1079C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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