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Ligand

NameCHEMBL98541
Molecular formulaC27H32FN3O4
IUPAC name(3R,3aS)-3-[[4-[(E)-3-(4-fluorophenyl)but-2-enyl]piperazin-1-yl]methyl]-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
Molecular weight481.568
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50146512
(3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-but-2-enyl]-piperazin-1-ylmethyl}-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
Inchi KeyBLAVUEWHVKGIIM-FHYDSMICSA-N
Inchi IDInChI=1S/C27H32FN3O4/c1-18(19-4-6-20(28)7-5-19)8-9-30-10-12-31(13-11-30)16-26-22-17-34-23-15-25(33-3)24(32-2)14-21(23)27(22)29-35-26/h4-8,14-15,22,26H,9-13,16-17H2,1-3H3/b18-8+/t22-,26-/m0/s1
PubChem CID10480357
ChEMBLCHEMBL98541
IUPHARN/A
BindingDB50146512
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
26354Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
26353Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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