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Ligand

NameBDBM86272
Molecular formulaC20H19BrF3NO2
IUPAC name9-bromo-3-prop-2-enyl-5-[2-(trifluoromethyl)phenyl]-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Molecular weight442.276
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.2
SynonymsMCL-217
Inchi KeyPHGKHKLVMARJOV-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19BrF3NO2/c1-2-8-25-9-7-13-14(10-17(26)19(27)18(13)21)15(11-25)12-5-3-4-6-16(12)20(22,23)24/h2-6,10,15,26-27H,1,7-9,11H2
PubChem CID57340517
ChEMBLN/A
IUPHARN/A
BindingDB86272
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5564835-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
259704Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
259705D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
556484D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
556485D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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