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Ligand

NameCHEMBL367343
Molecular formulaC18H24N2O2
IUPAC name2-[(2S,4aR,10bR)-7,8-dihydroxy-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-2-yl]acetonitrile
Molecular weight300.402
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50017463
(7,8-Dihydroxy-4-propyl-1,2,3,4,4a,5,6,10b-octahydro-benzo[f]quinolin-2-yl)-acetonitrile
Inchi KeyAJWHXZISGINFJA-DAXOMENPSA-N
Inchi IDInChI=1S/C18H24N2O2/c1-2-9-20-11-12(7-8-19)10-15-13-4-6-17(21)18(22)14(13)3-5-16(15)20/h4,6,12,15-16,21-22H,2-3,5,7,9-11H2,1H3/t12-,15-,16-/m1/s1
PubChem CID14488754
ChEMBLCHEMBL367343
IUPHARN/A
BindingDB50017463
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
7287D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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