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Ligand

NameCHEMBL584545
Molecular formulaC32H38N4O4
IUPAC name2-[4-amino-1-(3,4-dimethoxyphenyl)butyl]-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindole-1,3-dione
Molecular weight542.68
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.0
SynonymsSCHEMBL1472736
DCILHRAUYUGNNL-FPSALIRRSA-N
BDBM50302239
2-(4-amino-1-(3,4-dimethoxyphenyl)butyl)-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione
2-[4-amino-1-(3,4-dimethoxy-phenyl)-butyl]-4-[4-(1R)-(1-phenyl-ethyl)-piperazin-1-yl]-isoindole-1,3-dione
Inchi KeyDCILHRAUYUGNNL-FPSALIRRSA-N
Inchi IDInChI=1S/C32H38N4O4/c1-22(23-9-5-4-6-10-23)34-17-19-35(20-18-34)27-12-7-11-25-30(27)32(38)36(31(25)37)26(13-8-16-33)24-14-15-28(39-2)29(21-24)40-3/h4-7,9-12,14-15,21-22,26H,8,13,16-20,33H2,1-3H3/t22-,26?/m1/s1
PubChem CID23627251
ChEMBLCHEMBL584545
IUPHARN/A
BindingDB50302239
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
56384Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389
56385Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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