Details of the Drug

General Information of Drug (ID: DMUJFCK)

Drug Name
Benzoimidazole derivative 1
Synonyms PMID28594589-Compound-TABLE3c6
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 497.3
Topological Polar Surface Area (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]
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.