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Ligand

NameCHEMBL328195
Molecular formulaC25H31N3O4S
IUPAC name(3R,3aS)-7,8-dimethoxy-3-[[4-[(E)-3-thiophen-3-ylbut-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
Molecular weight469.6
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50146513
(3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-3-yl-but-2-enyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
Inchi KeyBSOFNSGMVOMVLM-MWXPQOEXSA-N
Inchi IDInChI=1S/C25H31N3O4S/c1-17(18-5-11-33-16-18)4-6-27-7-9-28(10-8-27)14-24-20-15-31-21-13-23(30-3)22(29-2)12-19(21)25(20)26-32-24/h4-5,11-13,16,20,24H,6-10,14-15H2,1-3H3/b17-4+/t20-,24-/m0/s1
PubChem CID44330369
ChEMBLCHEMBL328195
IUPHARN/A
BindingDB50146513
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
31837Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
31838Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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