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Ligand

NameCHEMBL286701
Molecular formulaC29H36N2O
IUPAC nameN-[1-(cyclooctylmethyl)piperidin-4-yl]anthracene-9-carboxamide
Molecular weight428.62
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP7.7
SynonymsBDBM50098649
Anthracene-9-carboxylic acid (1-cyclooctylmethyl-piperidin-4-yl)-amide
Inchi KeyXHKMDGZLJMNNHK-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H36N2O/c32-29(28-26-14-8-6-12-23(26)20-24-13-7-9-15-27(24)28)30-25-16-18-31(19-17-25)21-22-10-4-2-1-3-5-11-22/h6-9,12-15,20,22,25H,1-5,10-11,16-19,21H2,(H,30,32)
PubChem CID10741203
ChEMBLCHEMBL286701
IUPHARN/A
BindingDB50098649
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
391944C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355
391945C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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