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Ligand

NameCHEMBL566389
Molecular formulaC30H33N3O4
IUPAC name2-[1-(3,4-dimethoxyphenyl)ethyl]-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindole-1,3-dione
Molecular weight499.611
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.6
SynonymsSCHEMBL1472192
BDBM50302230
2-(1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione
Inchi KeyABGDCDADBTYYKP-VQCQRNETSA-N
Inchi IDInChI=1S/C30H33N3O4/c1-20(22-9-6-5-7-10-22)31-15-17-32(18-16-31)25-12-8-11-24-28(25)30(35)33(29(24)34)21(2)23-13-14-26(36-3)27(19-23)37-4/h5-14,19-21H,15-18H2,1-4H3/t20-,21?/m1/s1
PubChem CID23627557
ChEMBLCHEMBL566389
IUPHARN/A
BindingDB50302230
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
826Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386
827Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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