Details of the Drug | DrugMAP

General Information of Drug (ID: DM2GR5Q)

Drug Name	Pyridinone compound 1
Synonyms	PMID28594589-Compound-TABLE3c9
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 1	Molecular Weight (mw)			515.299
	Topological Polar Surface Area (xlogp)			2.8
	Rotatable Bond Count (rotbonds)			6
	Hydrogen Bond Donor Count (hbonddonor)			3
	Hydrogen Bond Acceptor Count (hbondacc)			6
Chemical Identifiers	Formula C20H23FIN3O4 IUPAC Name 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-2-methylpropoxy)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide Canonical SMILES CC(C)(CONC(=O)C1=C(N(C(=O)C2=C1CCC2)C)NC3=C(C=C(C=C3)I)F)O InChI InChI=1S/C20H23FIN3O4/c1-20(2,28)10-29-24-18(26)16-12-5-4-6-13(12)19(27)25(3)17(16)23-15-8-7-11(22)9-14(15)21/h7-9,23,28H,4-6,10H2,1-3H3,(H,24,26) InChIKey WMBPVWDVQRPCQY-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 86582134 TTD ID D01GWS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ERK activator kinase (MEK)	TTZCRP3	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	MEK inhibitors in oncology: a patent review (2015-Present).Expert Opin Ther Pat. 2017 Aug;27(8):887-906.
2	2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
3	Current Development Status of MEK Inhibitors. Molecules. 2017 Sep 26;22(10):1551.
4	Clinical pipeline report, company report or official report of Roche.
5	Clinical pipeline report, company report or official report of Genentech (2011).
6	Clinical pipeline report, company report or official report of Boehringer Ingelheim.