Details of the Drug

General Information of Drug (ID: DM8GJA7)

Drug Name
N-(arylamino)sulfonamide derivative 1
Synonyms PMID28594589-Compound-TABLE3c8
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 560.3
Topological Polar Surface Area (xlogp) 2.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C18H17F4IN2O4S
IUPAC Name
1-(2,3-dihydroxypropyl)-N-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide
Canonical SMILES
C1CC1(CC(CO)O)S(=O)(=O)NC2=C(C(=C(C=C2F)F)F)NC3=C(C=C(C=C3)I)F
InChI
InChI=1S/C18H17F4IN2O4S/c19-11-5-9(23)1-2-14(11)24-17-15(22)12(20)6-13(21)16(17)25-30(28,29)18(3-4-18)7-10(27)8-26/h1-2,5-6,10,24-27H,3-4,7-8H2
InChIKey
DDZSGPZIFZFUSF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15985394
TTD ID
D0OR2V

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.