ONO-AE3-208   Click here for help

GtoPdb Ligand ID: 1942

Synonyms: ONO AE3 208
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: ONO-AE3-208 is a high affinity, selective EP4 receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 90.19
Molecular weight 404.15
XLogP 4.12
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1ccc(c(c1)NC(=O)C(c1ccc(c2c1cccc2)F)C)CCCC(=O)O
Isomeric SMILES N#Cc1ccc(c(c1)NC(=O)C(c1ccc(c2c1cccc2)F)C)CCCC(=O)O
InChI InChI=1S/C24H21FN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[4-cyano-2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]phenyl]butanoic acid
Synonyms Click here for help
ONO AE3 208
Database Links Click here for help
Specialist databases
GPCRdb Ligand ONO-AE3-208
Other databases
GtoPdb PubChem SID 135650770
PubChem CID 10111831
Search Google for chemical match using the InChIKey MTDIMKNAJUQTIO-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey MTDIMKNAJUQTIO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey MTDIMKNAJUQTIO-UHFFFAOYSA-N

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ONO AE3 208 (links to external site)
Cat. No. 3565