Details of the Drug

General Information of Drug (ID: DMTMYJ6)

• Drug Name: N-oxalyl-D-tyrosine derivative 9
• Synonyms: PMID25468267-Compound-9
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 393.4
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C17H15NO8S
  IUPAC Name: (2R)-3-[4-(benzenesulfonyloxy)phenyl]-2-(oxaloamino)propanoic acid
  Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C[C@H](C(=O)O)NC(=O)C(=O)O
  InChI: InChI=1S/C17H15NO8S/c19-15(17(22)23)18-14(16(20)21)10-11-6-8-12(9-7-11)26-27(24,25)13-4-2-1-3-5-13/h1-9,14H,10H2,(H,18,19)(H,20,21)(H,22,23)/t14-/m1/s1
  InChIKey: DNGSYQKIFPNAEQ-CQSZACIVSA-N
• Cross-matching ID:
  PubChem CID: 45376513
  TTD ID: D0C8CI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 4E (KDM4E)	TTWAQBO	KDM4E_HUMAN	Inhibitor	[1]

References

• [1] KDM4 histone demethylase inhibitors for anti-cancer agents: a patent review.Expert Opin Ther Pat. 2015 Feb;25(2):135-44.