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Ligand

NameCHEMBL280751
Molecular formulaC30H41IN2O2
IUPAC nameN-[1-(cyclooctylmethyl)-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodide
Molecular weight588.574
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogPNone
SynonymsSCHEMBL8184421
Inchi KeyBASQORRTLWJBMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H40N2O2.HI/c1-2-32(22-23-12-6-4-3-5-7-13-23)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29;/h8-11,14-17,23-24,29H,2-7,12-13,18-22H2,1H3;1H
PubChem CID9894713
ChEMBLCHEMBL280751
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
19136C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355
19137C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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