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Ligand

NameCHEMBL422418
Molecular formulaC22H29N3O7
IUPAC name(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(4-azido-2-hydroxyphenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular weight447.488
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP2.6
SynonymsBDBM50020304
(R-isomer)7-{2-[4-(4-Azido-2-hydroxy-phenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid
Inchi KeyPYOUKOGVTYCAQX-JMNDOXIRSA-N
Inchi IDInChI=1S/C22H29N3O7/c23-25-24-14-7-10-21(20(29)11-14)32-13-15(26)8-9-17-16(18(27)12-19(17)28)5-3-1-2-4-6-22(30)31/h1,3,7-11,15-19,26-29H,2,4-6,12-13H2,(H,30,31)/b3-1-,9-8+/t15-,16-,17-,18+,19-/m1/s1
PubChem CID44322517
ChEMBLCHEMBL422418
IUPHARN/A
BindingDB50020304
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
272172Prostaglandin F2-alpha receptorP37289PTGFRBos taurus (Bovine)362

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