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Ligand

NameCHEMBL67757
Molecular formulaC27H34N4O4
IUPAC nameN-[(2S,3S,5R)-3-hydroxy-1-(4-methoxyphenyl)-7-methyl-5-(methylcarbamoyl)octan-2-yl]quinoxaline-2-carboxamide
Molecular weight478.593
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50144397
Quinoxaline-2-carboxylic acid [(1S,2S,4R)-2-hydroxy-1-(4-methoxy-benzyl)-6-methyl-4-methylcarbamoyl-heptyl]-amide
Inchi KeyAFELSVMKARSBQE-VPHKFGTKSA-N
Inchi IDInChI=1S/C27H34N4O4/c1-17(2)13-19(26(33)28-3)15-25(32)23(14-18-9-11-20(35-4)12-10-18)31-27(34)24-16-29-21-7-5-6-8-22(21)30-24/h5-12,16-17,19,23,25,32H,13-15H2,1-4H3,(H,28,33)(H,31,34)/t19-,23+,25+/m1/s1
PubChem CID44309213
ChEMBLCHEMBL67757
IUPHARN/A
BindingDB50144397
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
4085C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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