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Ligand

NameCHEMBL164195
Molecular formulaC15H18BrN
IUPAC name(3aR,9bS)-9-bromo-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
Molecular weight292.22
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50036469
(3aR,9bS)-3-Allyl-9-bromo-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
Inchi KeyACZSQSNJZPULJH-TZMCWYRMSA-N
Inchi IDInChI=1S/C15H18BrN/c1-2-9-17-10-8-12-14(17)7-6-11-4-3-5-13(16)15(11)12/h2-5,12,14H,1,6-10H2/t12-,14-/m1/s1
PubChem CID10424408
ChEMBLCHEMBL164195
IUPHARN/A
BindingDB50036469
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
20635-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2062D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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