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Ligand

NameCHEMBL568358
Molecular formulaC38H48N4O6
IUPAC nametert-butyl N-[(5R)-5-(3,4-dimethoxyphenyl)-5-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]pentyl]carbamate
Molecular weight656.824
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50302244
tert-butyl-(R)-5-(3,4-dimethoxyphenyl)-5-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)pentylcarbamate
Inchi KeyKOLWWPAODLKMSJ-PDDLMNHVSA-N
Inchi IDInChI=1S/C38H48N4O6/c1-26(27-13-8-7-9-14-27)40-21-23-41(24-22-40)31-17-12-15-29-34(31)36(44)42(35(29)43)30(28-18-19-32(46-5)33(25-28)47-6)16-10-11-20-39-37(45)48-38(2,3)4/h7-9,12-15,17-19,25-26,30H,10-11,16,20-24H2,1-6H3,(H,39,45)/t26-,30-/m1/s1
PubChem CID45486916
ChEMBLCHEMBL568358
IUPHARN/A
BindingDB50302244
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
174153Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386
174154Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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