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Ligand

NameCHEMBL108552
Molecular formulaC25H31FN4O5S
IUPAC name4-[5-(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)pentanoyl]benzenesulfonyl fluoride
Molecular weight518.604
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50120223
omega-(1-Propyl-2,6-dioxo-8-cyclohexyl-2,3,6,7-tetrahydro-1H-purine-3-yl)-4'-(fluorosulfonyl)valerophenone
4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-pentanoyl]-benzenesulfonyl fluoride
Inchi KeyAHPJUSSESRHGJN-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31FN4O5S/c1-2-15-30-24(32)21-23(28-22(27-21)18-8-4-3-5-9-18)29(25(30)33)16-7-6-10-20(31)17-11-13-19(14-12-17)36(26,34)35/h11-14,18H,2-10,15-16H2,1H3,(H,27,28)
PubChem CID10481731
ChEMBLCHEMBL108552
IUPHARN/A
BindingDB50120223
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
5788Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326

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