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Ligand

NameCHEMBL33104
Molecular formulaC31H41BrN2O2
IUPAC nameN-[1-(cyclooctylmethyl)-1-prop-2-enylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;bromide
Molecular weight553.585
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogPNone
SynonymsSCHEMBL8176214
Inchi KeyBYVKOBXBZRBGCT-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H40N2O2.BrH/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;1H
PubChem CID23283073
ChEMBLCHEMBL33104
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
36132C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
36133C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355

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