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Ligand

NamePharmaGSID_48521
Molecular formulaC31H49N5O4
IUPAC name(5S)-5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-3-(oxan-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Molecular weight555.764
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.1
SynonymsDSSTox_CID_28495
DTXSID8048521
SCHEMBL18841093
(S)-5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
DSSTox_GSID_48521
[ Show all ]
Inchi KeyCXXVJZRGOOIVOD-SANMLTNESA-N
Inchi IDInChI=1S/C31H49N5O4/c1-5-6-7-26-21-35(20-25-8-18-39-19-9-25)29(38)40-31(26)12-16-36(17-13-31)30(4)10-14-34(15-11-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3/t26-/m0/s1
PubChem CID44555481
ChEMBLCHEMBL1078231
IUPHARN/A
BindingDB50310739
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
53242C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
53243C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
53239C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
53237C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
53238C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
53241C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
53240C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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