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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL372983
Molecular formulaC23H32N2O2
IUPAC name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular weight368.521
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.7
Synonyms1-Cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester
BDBM50175566
Inchi KeyFCXWHPXCAHMELT-HMTLIYDFSA-N
Inchi IDInChI=1S/C23H32N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h4-6,9,18-19,21-22H,1-3,7-8,10-16H2/t21-,22?/m0/s1
PubChem CID11595794
ChEMBLCHEMBL372983
IUPHARN/A
BindingDB50175566
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
75349Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
75351Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
75350Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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