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Ligand

NameCHEMBL28056
Molecular formulaC25H22N2
IUPAC name2-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]-3-methylbenzonitrile
Molecular weight350.465
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP5.2
SynonymsBDBM50098549
(6aR)-11-(2-Cyano-6-methylphenyl)-4,5,6a,7-tetrahydro-6-methyl-6H-dibenzo[de,g]quinoline
(6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile
(6aR,aS)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile
3-Methyl-2-((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile
Inchi KeyAPEZAWGOFKUHCA-JOCHJYFZSA-N
Inchi IDInChI=1S/C25H22N2/c1-16-6-3-9-19(15-26)23(16)20-10-5-8-18-14-22-25-17(12-13-27(22)2)7-4-11-21(25)24(18)20/h3-11,22H,12-14H2,1-2H3/t22-/m1/s1
PubChem CID11725453
ChEMBLCHEMBL28056
IUPHARN/A
BindingDB50098549
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
109035-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
109065-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
109045-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
109075-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
10905D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
10908D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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