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Ligand

NameCHEMBL3976659
Molecular formulaC21H24BrNO4
IUPAC name(13aS)-12-bromo-3-methoxy-9-propoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Molecular weight434.33
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50210764
Inchi KeyAPIFLWWBMVHSHA-KRWDZBQOSA-N
Inchi IDInChI=1S/C21H24BrNO4/c1-3-6-27-21-15-11-23-5-4-12-7-20(26-2)18(24)9-13(12)17(23)8-14(15)16(22)10-19(21)25/h7,9-10,17,24-25H,3-6,8,11H2,1-2H3/t17-/m0/s1
PubChem CID134151764
ChEMBLCHEMBL3976659
IUPHARN/A
BindingDB50210764
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548012D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
548011D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
548010D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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