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Ligand

NameBDBM50271454
Molecular formulaC24H40N3+
IUPAC name(3S,6S)-7-[2-(1-adamantyl)ethyl]-6-cyclohexyl-3-methyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-7-ium
Molecular weight370.605
Hydrogen bond acceptor0
Hydrogen bond donor1
XlogP5.5
Synonyms(3S,6S)-7-(2-Adamantan-1-yl-ethyl)-6-cyclohexyl-3-methyl-2,5,6,7-tetrahydro-3H-imidazo[1,2-a]imidazol-1-ium
Inchi KeyABRAIKMFZBEEHN-VMUPYFCGSA-O
Inchi IDInChI=1S/C24H39N3/c1-17-15-25-23-26(22(16-27(17)23)21-5-3-2-4-6-21)8-7-24-12-18-9-19(13-24)11-20(10-18)14-24/h17-22H,2-16H2,1H3/p+1/t17-,18?,19?,20?,22+,24?/m0/s1
PubChem CID44586203
ChEMBLN/A
IUPHARN/A
BindingDB50271454
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
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GLASS IDNameUniProtGeneSpeciesLength
1088Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380

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