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Ligand

NameCHEMBL289902
Molecular formulaC30H37Br2N2O2+
IUPAC name2,7-dibromo-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide
Molecular weight617.446
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP7.5
SynonymsBDBM50098636
1-Cyclooct-1-enylmethyl-4-[(2,7-dibromo-9H-xanthencarrb0nyl)-amino]-1-ethyl-piperidinium; iodide
CHEMBL1183314
Inchi KeyQSZSGNOPAHYALR-ODCIPOBUSA-O
Inchi IDInChI=1S/C30H36Br2N2O2/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/p+1/b21-8+
PubChem CID11803142
ChEMBLN/A
IUPHARN/A
BindingDB50098636
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
286169C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
461677C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355

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