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Ligand

NameCHEMBL428794
Molecular formulaC23H31ClO6
IUPAC name(Z)-7-[(1R,2R,3R,6S)-2-[(E,3S)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,6-dihydroxycyclohexyl]hept-5-enoic acid
Molecular weight438.945
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.0
Synonyms7-{2-[4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-3,6-dihydroxy-cyclohexyl}-hept-5-enoic acid
(Z)-7-[2beta-[(1E,3S)-4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3alpha,6alpha-dihydroxycyclohexane-1alpha-yl]-5-heptenoic acid
BDBM50091622
Inchi KeyARRQNTXIXMFWIK-PBTSFOCYSA-N
Inchi IDInChI=1S/C23H31ClO6/c24-16-6-5-7-18(14-16)30-15-17(25)10-11-20-19(21(26)12-13-22(20)27)8-3-1-2-4-9-23(28)29/h1,3,5-7,10-11,14,17,19-22,25-27H,2,4,8-9,12-13,15H2,(H,28,29)/b3-1-,11-10+/t17-,19+,20+,21-,22+/m0/s1
PubChem CID10717894
ChEMBLCHEMBL428794
IUPHARN/A
BindingDB50091622
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
12709Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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