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Ligand

NameCHEMBL2178571
Molecular formulaC36H48N4O3
IUPAC name2-[3-(aminomethyl)piperidine-1-carbonyl]-N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-9H-xanthene-9-carboxamide
Molecular weight584.805
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50398345
SCHEMBL18776058
Inchi KeyAAPRNHKWNGDTOT-NSKAYECMSA-N
Inchi IDInChI=1S/C36H48N4O3/c37-23-27-12-9-19-40(25-27)36(42)28-15-16-33-31(22-28)34(30-13-7-8-14-32(30)43-33)35(41)38-29-17-20-39(21-18-29)24-26-10-5-3-1-2-4-6-11-26/h7-8,10,13-16,22,27,29,34H,1-6,9,11-12,17-21,23-25,37H2,(H,38,41)/b26-10+
PubChem CID10371087
ChEMBLCHEMBL2178571
IUPHARN/A
BindingDB50398345
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
426C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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