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Ligand

NameCHEMBL571537
Molecular formulaC33H42N4O5S2
IUPAC nameN-[(4R)-4-[7-(4-cyclobutylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide
Molecular weight638.842
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50302266
SCHEMBL2343959
(R)-N-(4-(4-(4-cyclobutylpiperazin-1-yl)-1-oxoisoindolin-2-yl)-4-(3,4-dimethoxyphenyl)butyl)-N-methylthiophene-2-sulfonamide
Inchi KeyOALICVBQMFNIMZ-MUUNZHRXSA-N
Inchi IDInChI=1S/C33H42N4O5S2/c1-34(44(39,40)32-13-7-21-43-32)16-6-12-28(24-14-15-30(41-2)31(22-24)42-3)37-23-27-26(33(37)38)10-5-11-29(27)36-19-17-35(18-20-36)25-8-4-9-25/h5,7,10-11,13-15,21-22,25,28H,4,6,8-9,12,16-20,23H2,1-3H3/t28-/m1/s1
PubChem CID25127072
ChEMBLCHEMBL571537
IUPHARN/A
BindingDB50302266
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
236454Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386
236455Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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