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Ligand

Name887109-77-5
Molecular formulaC29H29NO2
IUPAC name(2E)-2-(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-ylidene)-1-(2-methoxyphenyl)ethanone
Molecular weight423.556
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.3
Synonyms2-[2-(diphenylmethyl)-1-azabicyclo[2.2.2]oct-3-ylidene]-1-(2-methoxyphenyl)-ethanone
2-[2-(Diphenylmethyl)-1-azabicyclo[2.2.2]oct-3-ylidene]-1-(2-methoxyphenyl)ethanone
AK172008
AKOS025291375
AS-51866
[ Show all ]
Inchi KeyXBBNZGWNCBWFDK-LKUDQCMESA-N
Inchi IDInChI=1S/C29H29NO2/c1-32-27-15-9-8-14-24(27)26(31)20-25-21-16-18-30(19-17-21)29(25)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,20-21,28-29H,16-19H2,1H3/b25-20+
PubChem CID11539085
ChEMBLCHEMBL3343995
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
457077Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
532425Mas-related G-protein coupled receptor member X1Q8R4G1Mrgprx1Rattus norvegicus (Rat)323

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