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Ligand

NameCHEMBL33223
Molecular formulaC29H37Br2N2O2+
IUPAC name2,7-dibromo-N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide
Molecular weight605.435
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP7.9
Synonyms1-Cyclooctylmethyl-4-[(2,7-dibromo-9H-xanthene-9-carbonyl)-amino]-1-methyl-piperidinium; iodide
CHEMBL1178579
BDBM50098627
Inchi KeyONWYQSQVAOAHJT-UHFFFAOYSA-O
Inchi IDInChI=1S/C29H36Br2N2O2/c1-33(19-20-7-5-3-2-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1
PubChem CID10652533
ChEMBLN/A
IUPHARN/A
BindingDB50098627
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
246064C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
461342C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355

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