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Ligand

NameMF310
Molecular formulaC35H31F6N3O8S
IUPAC name1-(2,6-dimethoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide
Molecular weight767.696
Hydrogen bond acceptor15
Hydrogen bond donor1
XlogP5.9
SynonymsCHEMBL404199
SCHEMBL1735006
BDBM50372058
KB-78845
ZINC95546932
[ Show all ]
Inchi KeyFJMQKJOWJVMHPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H31F6N3O8S/c1-19-14-20(16-53(47,48)43-32(46)33(11-12-33)27-24(49-2)7-4-8-25(27)50-3)9-10-23(19)44-15-22-26(31(44)45)29(51-17-34(36,37)38)21-6-5-13-42-28(21)30(22)52-18-35(39,40)41/h4-10,13-14H,11-12,15-18H2,1-3H3,(H,43,46)
PubChem CID15947857
ChEMBLCHEMBL404199
IUPHARN/A
BindingDB50372058
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
79882Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
79877Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
79881Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
79879Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
79878Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
79880Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
79883Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
79876Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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