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Ligand

NameCHEMBL142576
Molecular formulaC24H38N4O2
IUPAC name8-(dicyclohexylmethyl)-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight414.594
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP7.9
Synonyms1,3-Dipropyl-8-dicyclohexylmethylxanthine
BDBM50011214
SCHEMBL7269624
8-Dicyclohexylmethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
Inchi KeyBTAKKRMEEVEZAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H38N4O2/c1-3-15-27-22-20(23(29)28(16-4-2)24(27)30)25-21(26-22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h17-19H,3-16H2,1-2H3,(H,25,26)
PubChem CID15010012
ChEMBLCHEMBL142576
IUPHARN/A
BindingDB50011214
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32179Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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