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Ligand

NameCHEMBL569688
Molecular formulaC37H46N4O6
IUPAC nametert-butyl N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]carbamate
Molecular weight642.797
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.6
SynonymsNGGJCHLWJLXTQR-MIJJZIGMSA-N
(4-(3,4-dimethoxy-phenyl)-4-{1,3-dioxo-4-[4-(1R)-(1-phenyl-ethyl)-piperazin-1-yl]-1,3-dihydro-isoindol-2-yl}-butyl)-carbamic acid tert-butyl ester
SCHEMBL1472830
tert-butyl 4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butylcarbamate
BDBM50302240
Inchi KeyNGGJCHLWJLXTQR-MIJJZIGMSA-N
Inchi IDInChI=1S/C37H46N4O6/c1-25(26-12-8-7-9-13-26)39-20-22-40(23-21-39)30-15-10-14-28-33(30)35(43)41(34(28)42)29(16-11-19-38-36(44)47-37(2,3)4)27-17-18-31(45-5)32(24-27)46-6/h7-10,12-15,17-18,24-25,29H,11,16,19-23H2,1-6H3,(H,38,44)/t25-,29?/m1/s1
PubChem CID23627305
ChEMBLCHEMBL569688
IUPHARN/A
BindingDB50302240
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
222612Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386
222613Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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