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Ligand

NameCHEMBL289660
Molecular formulaC24H35F3O5
IUPAC name7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pentyl]cyclopentyl]heptanoic acid
Molecular weight460.534
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.8
Synonyms7-[(1R)-2beta-[(3R)-3-Hydroxy-5-[4-(trifluoromethyl)phenyl]pentyl]-3alpha,5alpha-dihydroxycyclopentane-1alpha-yl]heptanoic acid
7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(R)-3-hydroxy-5-(4-trifluoromethyl-phenyl)-pentyl]-cyclopentyl}-heptanoic acid
BDBM50090145
Inchi KeyCLZNYVHQDWXKEA-AHJNKEMKSA-N
Inchi IDInChI=1S/C24H35F3O5/c25-24(26,27)17-10-7-16(8-11-17)9-12-18(28)13-14-20-19(21(29)15-22(20)30)5-3-1-2-4-6-23(31)32/h7-8,10-11,18-22,28-30H,1-6,9,12-15H2,(H,31,32)/t18-,19+,20+,21-,22+/m0/s1
PubChem CID44285161
ChEMBLCHEMBL289660
IUPHARN/A
BindingDB50090145
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
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GLASS IDNameUniProtGeneSpeciesLength
45153Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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