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Ligand

NameCHEMBL176116
Molecular formulaC27H31N3O4
IUPAC name[(3R,3aS)-3-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-7-yl] acetate
Molecular weight461.562
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.0
SynonymsAcetic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazol-7-ylester
BDBM50163489
Inchi KeyAYMCTBRVXPCORT-DPAPPHFXSA-N
Inchi IDInChI=1S/C27H31N3O4/c1-19(14-21-6-4-3-5-7-21)16-29-10-12-30(13-11-29)17-26-24-18-32-25-15-22(33-20(2)31)8-9-23(25)27(24)28-34-26/h3-9,14-15,24,26H,10-13,16-18H2,1-2H3/b19-14+/t24-,26-/m0/s1
PubChem CID11259744
ChEMBLCHEMBL176116
IUPHARN/A
BindingDB50163489
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
17580Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
17579Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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