PF-04418948   Click here for help

GtoPdb Ligand ID: 5817

Synonyms: PF 04418948 | PF04418948
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: PF-04418948 is an orally active, potent, and selective EP2 receptor antagonist [1]. PF-04418948 was investigated in Phase I clinical trial, following which development was discontinued.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 76.07
Molecular weight 409.13
XLogP 3.62
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O
Isomeric SMILES COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O
InChI InChI=1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28)
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Compound class Synthetic organic
IUPAC Name Click here for help
1-(4-fluorobenzoyl)-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid
Synonyms Click here for help
PF 04418948 | PF04418948
Database Links Click here for help
Specialist databases
GPCRdb Ligand PF-04418948
Other databases
CAS Registry No. 1078166-57-0 (source: Scifinder)
ChEMBL Ligand CHEMBL3286797
GtoPdb PubChem SID 178102442
PubChem CID 25114442
Search Google for chemical match using the InChIKey LWJGMYMNSNVCEM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LWJGMYMNSNVCEM
UniChem Compound Search for chemical match using the InChIKey LWJGMYMNSNVCEM-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LWJGMYMNSNVCEM-UHFFFAOYSA-N

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PF 04418948 (links to external site)
Cat. No. 4818