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Ligand

NameMRS2567
Molecular formulaC16H12N2S2
IUPAC name1-isothiocyanato-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
Molecular weight296.406
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.1
Synonyms1,2-di-(4-isothiocyanatophenyl)ethane
4,4'-Diisothiocyanatobibenzyl
1-isothiocyanato-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
D0V4FT
SCHEMBL1853024
[ Show all ]
Inchi KeyKGPFLJVFCCOOEO-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H12N2S2/c19-11-17-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)18-12-20/h3-10H,1-2H2
PubChem CID11266452
ChEMBLN/A
IUPHAR1752
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
554131P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328
554132P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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