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Ligand

NameCHEMBL36911
Molecular formulaC23H35FO5
IUPAC name7-[(1R,2R,3R,5S)-2-[(3R)-5-(4-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid
Molecular weight410.526
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP4.0
Synonyms7-[(1R)-2beta-[(3R)-3-Hydroxy-5-(4-fluorophenyl)pentyl]-3alpha,5alpha-dihydroxycyclopentane-1alpha-yl]heptanoic acid
7-{(1R,2R,3R,5S)-2-[(R)-5-(4-Fluoro-phenyl)-3-hydroxy-pentyl]-3,5-dihydroxy-cyclopentyl}-heptanoic acid
BDBM50090135
Inchi KeyBTTDPLCDPXPOEM-AHJNKEMKSA-N
Inchi IDInChI=1S/C23H35FO5/c24-17-10-7-16(8-11-17)9-12-18(25)13-14-20-19(21(26)15-22(20)27)5-3-1-2-4-6-23(28)29/h7-8,10-11,18-22,25-27H,1-6,9,12-15H2,(H,28,29)/t18-,19+,20+,21-,22+/m0/s1
PubChem CID44285328
ChEMBLCHEMBL36911
IUPHARN/A
BindingDB50090135
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32682Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
32685Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
32683Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
32684Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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