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Ligand

NameCHEMBL34732
Molecular formulaC30H39N2O2+
IUPAC nameN-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide
Molecular weight459.654
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50098641
1-Cyclooct-1-enylmethyl-1-ethyl-4-[(9H-xanthene-9-carbonyl)-amino]-piperidinium; iodide
CHEMBL1178613
Inchi KeyGLDYHLSKVOYFPU-FSJBWODESA-O
Inchi IDInChI=1S/C30H38N2O2/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/h8-12,14-17,24,29H,2-7,13,18-22H2,1H3/p+1/b23-12+
PubChem CID10698568
ChEMBLN/A
IUPHARN/A
BindingDB50098641
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
99236C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
460108C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355

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