Details of the Drug

General Information of Drug (ID: DMTB3KS)

Drug Name
Azetidine derivative 2
Synonyms PMID28594589-Compound-TABLE3c11
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 519.299
Topological Polar Surface Area (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]
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.