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Ligand

NameNSC697169
Molecular formulaC38H38Cl4N8O2
IUPAC name3-[8-[4-anilino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine
Molecular weight780.576
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP11.6
SynonymsNCI60_034638
4H-1,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(2,4-dichlorophenoxy)methyl]- N-phenyl-
CHEMBL363569
NSC-697169
AC1L97GP
[ Show all ]
Inchi KeyVCMQJXCLTUZMHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H38Cl4N8O2/c39-27-19-21-33(31(41)23-27)51-25-37-45-43-35(49(37)47-29-13-7-5-8-14-29)17-11-3-1-2-4-12-18-36-44-46-38(50(36)48-30-15-9-6-10-16-30)26-52-34-22-20-28(40)24-32(34)42/h5-10,13-16,19-24,47-48H,1-4,11-12,17-18,25-26H2
PubChem CID394051
ChEMBLCHEMBL363569
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
351719G-protein coupled receptor 182O15218GPR182Homo sapiens (Human)404

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