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Ligand

NameNSC697161
Molecular formulaC26H32Cl2N8O2
IUPAC name3-[8-[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine
Molecular weight559.496
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.9
Synonyms3-(8-(4-Amino-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-4-ylamine
NCI60_034630
3-[8-[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine
CHEMBL195841
3,3'-octane-1,8-diylbis{5-[(4-chlorophenoxy)methyl]-4h-1,2,4-triazol-4-amine}
[ Show all ]
Inchi KeyNASDCQVYKOBYIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32Cl2N8O2/c27-19-9-13-21(14-10-19)37-17-25-33-31-23(35(25)29)7-5-3-1-2-4-6-8-24-32-34-26(36(24)30)18-38-22-15-11-20(28)12-16-22/h9-16H,1-8,17-18,29-30H2
PubChem CID394043
ChEMBLCHEMBL195841
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
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GLASS IDNameUniProtGeneSpeciesLength
218723G-protein coupled receptor 182O15218GPR182Homo sapiens (Human)404

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