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Ligand

NameCHEMBL328735
Molecular formulaC26H31N3O5
IUPAC name3-[4-[(7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-3-yl)methyl]piperazin-1-yl]-1-phenylpropan-1-one
Molecular weight465.55
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.7
Synonyms3-[4-(7,8-Dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazol-3-ylmethyl)-piperazin-1-yl]-1-phenyl-propan-1-one
BDBM50131358
Inchi KeyAWPNMWRTPSQMFC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31N3O5/c1-31-23-14-19-22(15-24(23)32-2)33-17-20-25(34-27-26(19)20)16-29-12-10-28(11-13-29)9-8-21(30)18-6-4-3-5-7-18/h3-7,14-15,20,25H,8-13,16-17H2,1-2H3
PubChem CID44325075
ChEMBLCHEMBL328735
IUPHARN/A
BindingDB50131358
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
16254Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
16253Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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