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Ligand

NameCHEMBL116836
Molecular formulaC25H30FNO3S
IUPAC name(Z)-7-[(1R,2R,3S,5S)-2-[(5-fluoro-1-benzothiophene-3-carbonyl)amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular weight443.577
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.7
Synonyms(Z)-7-[(1R,5S)-2alpha-[(5-Fluorobenzo[b]thiophen-3-ylcarbonyl)amino]-6,6-dimethylbicyclo[3.1.1]heptan-3beta-yl]-5-heptenoic acid
BDBM50060454
(Z)-7-{(1R,2R,3S,5S)-2-[(5-Fluoro-benzo[b]thiophene-3-carbonyl)-amino]-6,6-dimethyl-bicyclo[3.1.1]hept-3-yl}-hept-5-enoic acid
Inchi KeyBELXZBLLLPZNRW-MFJOXFORSA-N
Inchi IDInChI=1S/C25H30FNO3S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)27-24(30)19-14-31-21-10-9-17(26)13-18(19)21/h3,5,9-10,13-16,20,23H,4,6-8,11-12H2,1-2H3,(H,27,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
PubChem CID10741899
ChEMBLCHEMBL116836
IUPHARN/A
BindingDB50060454
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21697Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
21696Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
21695Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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