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Ligand

NameSMR000047809
Molecular formulaC27H25N3O5
IUPAC name5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
Molecular weight471.513
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.1
SynonymsMCULE-7021532721
5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
AKOS005628518
CCG-145119
MolPort-000-483-711
[ Show all ]
Inchi KeyBNFLLENUFLBETF-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25N3O5/c1-34-21-11-10-16(14-22(21)35-2)12-13-30-26(17-6-5-7-18(31)15-17)23-24(28-29-25(23)27(30)33)19-8-3-4-9-20(19)32/h3-11,14-15,26,31-32H,12-13H2,1-2H3,(H,28,29)
PubChem CID666598
ChEMBLCHEMBL1528960
IUPHARN/A
BindingDB61406
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
558115G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
558114Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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