Details of the Drug

General Information of Drug (ID: DMTB3KS)

• Drug Name: Azetidine derivative 2
• Synonyms: PMID28594589-Compound-TABLE3c11
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 519.299
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C19H17F3IN3O3
  IUPAC Name: 1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-N-(2-hydroxyethyl)azetidine-3-carboxamide
  Canonical SMILES: C1C(CN1C(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)F)C(=O)NCCO
  InChI: InChI=1S/C19H17F3IN3O3/c20-13-3-2-12(19(29)26-8-10(9-26)18(28)24-5-6-27)17(16(13)22)25-15-4-1-11(23)7-14(15)21/h1-4,7,10,25,27H,5-6,8-9H2,(H,24,28)
  InChIKey: GNOFJPRIPYVPCR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16222298
  TTD ID: D0K6HD

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]

References

• [1] MEK inhibitors in oncology: a patent review (2015-Present).Expert Opin Ther Pat. 2017 Aug;27(8):887-906.