Details of the Drug

General Information of Drug (ID: DMUJFCK)

• Drug Name: Benzoimidazole derivative 1
• Synonyms: PMID28594589-Compound-TABLE3c6
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 497.3
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C21H23BrF2N4O3
  IUPAC Name: 6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzimidazole-5-carboxamide
  Canonical SMILES: CC(C)(C)OCCONC(=O)C1=CC2=C(C(=C1NC3=C(C=C(C=C3)Br)F)F)N=CN2C
  InChI: InChI=1S/C21H23BrF2N4O3/c1-21(2,3)30-7-8-31-27-20(29)13-10-16-19(25-11-28(16)4)17(24)18(13)26-15-6-5-12(22)9-14(15)23/h5-6,9-11,26H,7-8H2,1-4H3,(H,27,29)
  InChIKey: MZHRFHRSYBBMON-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 73775787
  CAS Number: 1604812-70-5
  TTD ID: D0DB3L

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.