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Ligand

NameCHEMBL568316
Molecular formulaC36H40N4O6S2
IUPAC nameN-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide
Molecular weight688.858
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP5.6
SynonymsN-(4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)thiophene-2-sulfonamide
thiophene-2-sulfonic acid(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)-amide
SCHEMBL1474563
BDBM50302241
JOTYMLKDQAFRFK-MIJJZIGMSA-N
[ Show all ]
Inchi KeyJOTYMLKDQAFRFK-MIJJZIGMSA-N
Inchi IDInChI=1S/C36H40N4O6S2/c1-25(26-10-5-4-6-11-26)38-19-21-39(22-20-38)30-13-7-12-28-34(30)36(42)40(35(28)41)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-37-48(43,44)33-15-9-23-47-33/h4-7,9-13,15-17,23-25,29,37H,8,14,18-22H2,1-3H3/t25-,29?/m1/s1
PubChem CID23627249
ChEMBLCHEMBL568316
IUPHARN/A
BindingDB50302241
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
156214Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386
156215Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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