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Ligand

NameCHEMBL135616
Molecular formulaC22H29BrN2O
IUPAC name8-bromo-3-[4-(dimethylamino)butyl]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular weight417.391
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50029347
8-Bromo-3-(4-dimethylamino-butyl)-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol
Inchi KeyAEFMBWDXTMRYHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29BrN2O/c1-24(2)11-6-7-12-25-13-10-18-14-21(23)22(26)15-19(18)20(16-25)17-8-4-3-5-9-17/h3-5,8-9,14-15,20,26H,6-7,10-13,16H2,1-2H3
PubChem CID10740666
ChEMBLCHEMBL135616
IUPHARN/A
BindingDB50029347
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3417D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
3416D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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