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Ligand

NameCHEMBL1669026
Molecular formulaC36H39N3O6S
IUPAC name1-[1-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3-methylphenyl]methyl]cyclopropyl]-3-(2,6-dimethylphenyl)sulfonylurea
Molecular weight641.783
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.0
SynonymsBDBM50335999
SCHEMBL2251367
2,6-dimethyl-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)-3-methylbenzyl)cyclopropylcarbamoyl)benzenesulfonamide
Inchi KeyBHZQADXHKGWFSX-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H39N3O6S/c1-6-44-31-26-13-8-9-14-27(26)32(45-7-2)30-28(31)21-39(34(30)40)29-16-15-25(19-24(29)5)20-36(17-18-36)37-35(41)38-46(42,43)33-22(3)11-10-12-23(33)4/h8-16,19H,6-7,17-18,20-21H2,1-5H3,(H2,37,38,41)
PubChem CID25019694
ChEMBLCHEMBL1669026
IUPHARN/A
BindingDB50335999
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
24228Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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