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Ligand

NameUNII-HD099HOT7H
Molecular formulaC30H37Cl2IN2O2
IUPAC name2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodide
Molecular weight655.442
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogPNone
SynonymsPiperidinium, 1-(1-cycloocten-1-ylmethyl)-4-(((2,7-dichloro-9H-xanthen-9-yl)carbonyl)amino)-1-ethyl-, iodide, trans-
AC1OCFI1
J 113863
J-113863, cis-
SCHEMBL8187807
[ Show all ]
Inchi KeyFOAFBMYSXIGAOX-LQGGPMKRSA-N
Inchi IDInChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
PubChem CID6918496
ChEMBLCHEMBL277930
IUPHARN/A
BindingDB50098643
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
83079C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355
83081C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
83085C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
83082C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
83083C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
83084C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
83080Probable C-C chemokine receptor type 3P51678Ccr3Mus musculus (Mouse)359

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