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Ligand

NameCHEMBL598198
Molecular formulaC25H22F3N5OS
IUPAC name2,5-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]cyclopropyl]-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
Molecular weight497.54
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM144440
2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cyclopropyl}-4-[4-(trifluoromethyl)benzyl]thiophene-3-carboxamide
US8969394, 14
BDBM50308132
FMLJGBDOSCBJBZ-UHFFFAOYSA-N
[ Show all ]
Inchi KeyFMLJGBDOSCBJBZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
PubChem CID24952928
ChEMBLCHEMBL598198
IUPHARN/A
BindingDB50308132, 144440
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
82011Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
82012Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
82006Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
82007Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
82009Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
82004Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
82005Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
82010Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
82008Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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