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Ligand

NameCHEMBL516641
Molecular formulaC35H52O4
IUPAC name(1R,5S,6R,7S)-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]nonane-2,4,9-trione
Molecular weight536.797
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP10.0
SynonymsBDBM50242259
Inchi KeyGQRREYKSPJMLAW-CWRBZUMDSA-N
Inchi IDInChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-28H,12,16-17,19-21H2,1-11H3/t27-,28?,33+,34+,35+/m0/s1
PubChem CID91935559
ChEMBLN/A
IUPHARN/A
BindingDB50242259
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: 29
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
1029125-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1029145-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1029095-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
4601395-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
1029055-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5558605-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
555863Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
102917Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
102910Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
460135Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
102921Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
102907Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
460136Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
102916D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
102920D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
555862D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
555864D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
102911D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
460138Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
102922Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486

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