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Ligand

NameCHEMBL80974
Molecular formulaC28H40N2O4
IUPAC name4-[[(2S)-1-[6-[(2R)-2-[(3,4-dihydroxyphenyl)methyl]pyrrolidin-1-yl]hexyl]pyrrolidin-2-yl]methyl]benzene-1,2-diol
Molecular weight468.638
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.3
SynonymsBDBM50213354
Inchi KeyVQJOREUOQIWUDM-PSWAGMNNSA-N
Inchi IDInChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24+
PubChem CID44316058
ChEMBLCHEMBL80974
IUPHARN/A
BindingDB50213354
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
361670Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
361671D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
361672D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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