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Ligand

NameCHEMBL3896035
Molecular formulaC27H36F4N4O5S
IUPAC name2-[(2S)-1-[[5-fluoro-2-[3-oxo-3-(trifluoromethylsulfonylamino)propyl]phenyl]methyl]pyrrolidin-2-yl]-N-octyl-1,3-oxazole-4-carboxamide
Molecular weight604.662
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP5.6
SynonymsUS9422273, 12e
BDBM240747
SCHEMBL13556939
Inchi KeyBFFVYRGBDKURRE-QHCPKHFHSA-N
Inchi IDInChI=1S/C27H36F4N4O5S/c1-2-3-4-5-6-7-14-32-25(37)22-18-40-26(33-22)23-9-8-15-35(23)17-20-16-21(28)12-10-19(20)11-13-24(36)34-41(38,39)27(29,30)31/h10,12,16,18,23H,2-9,11,13-15,17H2,1H3,(H,32,37)(H,34,36)/t23-/m0/s1
PubChem CID56839536
ChEMBLCHEMBL3896035
IUPHARN/A
BindingDB240747
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
536550Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
536546Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
536549Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
536548Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
536547Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
536544Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
536545Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
536551Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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