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Ligand

NameCHEMBL32713
Molecular formulaC32H45IN2O2
IUPAC nameN-[1-butyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodide
Molecular weight616.628
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogPNone
SynonymsSCHEMBL8185733
Inchi KeyMTPDGAANFBNMET-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H44N2O2.HI/c1-2-3-21-34(24-25-13-7-5-4-6-8-14-25)22-19-26(20-23-34)33-32(35)31-27-15-9-11-17-29(27)36-30-18-12-10-16-28(30)31;/h9-12,15-18,25-26,31H,2-8,13-14,19-24H2,1H3;1H
PubChem CID10579692
ChEMBLCHEMBL32713
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
213882C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
213883C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355

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