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Ligand

NameCHEMBL566187
Molecular formulaC28H29N3O4
IUPAC name4-(4-benzylpiperazin-1-yl)-2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione
Molecular weight471.557
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50302227
SCHEMBL1472930
4-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxybenzyl)isoindoline-1,3-dione
Inchi KeyFARHQDUFBHCIDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29N3O4/c1-34-24-12-11-21(17-25(24)35-2)19-31-27(32)22-9-6-10-23(26(22)28(31)33)30-15-13-29(14-16-30)18-20-7-4-3-5-8-20/h3-12,17H,13-16,18-19H2,1-2H3
PubChem CID23627554
ChEMBLCHEMBL566187
IUPHARN/A
BindingDB50302227
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
73663Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389
73664Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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