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Ligand

NameCHEMBL200680
Molecular formulaC27H27FN4O2
IUPAC nameN-[6-[(E)-3-[3-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-oxoprop-1-enyl]quinolin-7-yl]acetamide
Molecular weight458.537
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50174718
N-(6-(3-(3-(4-fluorobenzyl)-3,8-diaza-bicyclo[3.2.1]octan-8-yl)-3-oxoprop-1-enyl)quinolin-7-yl)acetamide
Inchi KeyAHYXGZDCECWMIM-IZZDOVSWSA-N
Inchi IDInChI=1S/C27H27FN4O2/c1-18(33)30-26-14-25-20(3-2-12-29-25)13-21(26)6-11-27(34)32-23-9-10-24(32)17-31(16-23)15-19-4-7-22(28)8-5-19/h2-8,11-14,23-24H,9-10,15-17H2,1H3,(H,30,33)/b11-6+
PubChem CID44405212
ChEMBLCHEMBL200680
IUPHARN/A
BindingDB50174718
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6001C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355
6002C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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