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Ligand

NameCHEMBL2260849
Molecular formulaC22H31NO
IUPAC name[(1S,2R)-2-[[1-adamantyl(methyl)amino]methyl]-1-phenylcyclopropyl]methanol
Molecular weight325.496
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.4
Synonyms(1S,2R)-1-Phenyl-2-[[adamantane-1-yl(methyl)amino]methyl]cyclopropane-1-methanol
Inchi KeyAETYSQAVZQJJIL-GNXLQELYSA-N
Inchi IDInChI=1S/C22H31NO/c1-23(21-10-16-7-17(11-21)9-18(8-16)12-21)14-20-13-22(20,15-24)19-5-3-2-4-6-19/h2-6,16-18,20,24H,7-15H2,1H3/t16?,17?,18?,20-,21?,22+/m0/s1
PubChem CID11120930
ChEMBLCHEMBL2260849
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
3831Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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