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Ligand

NameCHEMBL66457
Molecular formulaC26H32N4O4
IUPAC nameN-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]quinoxaline-2-carboxamide
Molecular weight464.566
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.1
SynonymsBDBM50144426
Quinoxaline-2-carboxylic acid ((1S,2S,4R)-1-benzyl-4-carbamoyl-2,7-dihydroxy-7-methyl-octyl)-amide
Inchi KeyCGQLBSSYXLRPDT-JZWVFAODSA-N
Inchi IDInChI=1S/C26H32N4O4/c1-26(2,34)13-12-18(24(27)32)15-23(31)21(14-17-8-4-3-5-9-17)30-25(33)22-16-28-19-10-6-7-11-20(19)29-22/h3-11,16,18,21,23,31,34H,12-15H2,1-2H3,(H2,27,32)(H,30,33)/t18-,21+,23+/m1/s1
PubChem CID44309194
ChEMBLCHEMBL66457
IUPHARN/A
BindingDB50144426
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41533C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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