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Ligand

NameCHEMBL33104
Molecular formulaC31H41N2O2+
IUPAC nameN-[1-(cyclooctylmethyl)-1-prop-2-enylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide
Molecular weight473.681
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP7.1
SynonymsBDBM50098620
1-Allyl-1-cyclooctylmethyl-4-[(9H-xanthene-9-carbonyl)-amino]-piperidinium; bromide
CHEMBL1178575
Inchi KeyMEUGDBZTOYVIMJ-UHFFFAOYSA-O
Inchi IDInChI=1S/C31H40N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h2,8-11,14-17,24-25,30H,1,3-7,12-13,18-23H2/p+1
PubChem CID10555551
ChEMBLN/A
IUPHARN/A
BindingDB50098620
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
203712C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
461010C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355

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