GtoPdb is requesting financial support from commercial users. Please see our sustainability page for more information.

polfurmetinib   Click here for help

GtoPdb Ligand ID: 14063

Synonyms: Example 69 [WO2022208391A1]
Compound class: Synthetic organic
Comment: Polfurmetinib is the INN for a MEK tyrosine kinase inhibitor with antineoplastic potential, from INN proposed list 133 (10th July 2025). The structure is claimed as Example 69 in Pfizer patent WO2022208391A1 [1]. Pfizer have a brain-penetrant MEK inhibitor (PF-07799544) in clinical development, but its structure has not been disclosed (August 2025).
2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
Physico-chemical Properties
Click here for help

Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

✖
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 107.41
Molecular weight 393.43
XLogP 0.13
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

✖
Canonical SMILES CN1C(=O)C=C2CCN(C(=O)C2=C1NC3=CC=C(C=C3F)SC)OCCO
Isomeric SMILES CN1C(=O)C=C2CCN(C(=O)C2=C1NC3=C(C=C(C=C3)SC)F)OCCO
InChI InChI=1S/C18H20FN3O4S/c1-21-15(24)9-11-5-6-22(26-8-7-23)18(25)16(11)17(21)20-14-4-3-12(27-2)10-13(14)19/h3-4,9-10,20,23H,5-8H2,1-2H3
InChI Key TURWFFGYNJNSFK-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
References
1. Allen S, Blake JF, Blanche ST, Boys ML, Clark WD, Cowdrey CJ, Dahlke JR, Barbour PMD, Kellum AA, KnappEM et al.. (2022)
3,4-dihydro-2,7-naphthyridine-1,6(2h,7h)-diones as MEK inhibitors.
Patent number: WO2022208391A1. Assignee: Pfizer Inc,. Priority date: 30/03/2022. Publication date: 06/10/2022.