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Ligand

NameNSC697163
Molecular formulaC34H38N8O4
IUPAC name1-[[4-amino-5-[8-[4-amino-5-[(2-hydroxynaphthalen-1-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol
Molecular weight622.73
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP6.4
Synonyms1-((4-Amino-5-(8-(4-amino-5-(((2-hydroxy-1-naphthyl)oxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-4H-1,2,4-triazol-3-yl)methoxy)-2-naphthol
NCI60_034632
2-naphthalenol, 1,1'-[1,8-octanediylbis[(4-amino-4h-1,2,4-triazole-5,3-diyl)methyleneoxy]]bis-
CHEMBL195587
1-[[4-amino-5-[8-[4-amino-5-[(2-hydroxy-1-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol
[ Show all ]
Inchi KeyNUXQTLBRCMZPEU-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H38N8O4/c35-41-29(37-39-31(41)21-45-33-25-13-9-7-11-23(25)17-19-27(33)43)15-5-3-1-2-4-6-16-30-38-40-32(42(30)36)22-46-34-26-14-10-8-12-24(26)18-20-28(34)44/h7-14,17-20,43-44H,1-6,15-16,21-22,35-36H2
PubChem CID394045
ChEMBLCHEMBL195587
IUPHARN/A
BindingDBN/A
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
232766G-protein coupled receptor 182O15218GPR182Homo sapiens (Human)404

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