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Ligand

NameCHEMBL88974
Molecular formulaC23H31N3O5
IUPAC name(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(4-azidophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular weight429.517
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.6
SynonymsBDBM50020302
(S-isomer)7-{2-[5-(4-Azido-phenyl)-3-hydroxy-pent-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid
Inchi KeyMSVDJLMZDIYYEF-KPHFSLOISA-N
Inchi IDInChI=1S/C23H31N3O5/c24-26-25-17-10-7-16(8-11-17)9-12-18(27)13-14-20-19(21(28)15-22(20)29)5-3-1-2-4-6-23(30)31/h1,3,7-8,10-11,13-14,18-22,27-29H,2,4-6,9,12,15H2,(H,30,31)/b3-1-,14-13+/t18-,19+,20+,21-,22+/m0/s1
PubChem CID44322611
ChEMBLCHEMBL88974
IUPHARN/A
BindingDB50020302
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
213410Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
213411Prostaglandin F2-alpha receptorP37289PTGFRBos taurus (Bovine)362

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