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Ligand

NameCHEMBL226636
Molecular formulaC26H30FN3O4
IUPAC name3-[[4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-1-yl]methyl]-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
Molecular weight467.541
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.7
SynonymsSCHEMBL14604924
cis-(+/-)-7,8-dimethoxy-3-[4-(3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole
cis-(-)-7,8-dimethoxy-3-[4-(3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole
BDBM50209685
cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole
Inchi KeyCVKQUGPVDVFRAT-ONEGZZNKSA-N
Inchi IDInChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+
PubChem CID44424855
ChEMBLCHEMBL226636
IUPHARN/A
BindingDB50209685
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
51548Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
51549Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
51550Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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