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Ligand

NameCHEMBL169322
Molecular formulaC18H25NO2
IUPAC name(4aR,11bR)-4-(2-methylpropyl)-2,3,4a,5,6,8,9,11b-octahydro-[1]benzofuro[5,6-h][1,4]benzoxazine
Molecular weight287.403
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50215093
Inchi KeyAAIDTVFHOXBFSJ-SJLPKXTDSA-N
Inchi IDInChI=1S/C18H25NO2/c1-12(2)11-19-6-8-21-18-15-10-17-14(5-7-20-17)9-13(15)3-4-16(18)19/h9-10,12,16,18H,3-8,11H2,1-2H3/t16-,18-/m1/s1
PubChem CID44382118
ChEMBLCHEMBL169322
IUPHARN/A
BindingDB50215093
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
224D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
223D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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