Details of the Drug

General Information of Drug (ID: DMN72OM)

• Drug Name: U300
• Synonyms: Methyl 3,5-dinitrobenzoate; 2702-58-1; Benzoic acid, 3,5-dinitro-, methyl ester; POGCCFLNFPIIGW-UHFFFAOYSA-N; 3,5-dinitro-benzoic acid methyl ester; Methyl 3,5-Dinitrobenzoate,99%; Methyl-3,5-dinitrobenzoate; U300; ACMC-1CR6Q; AC1L5B8W; AC1Q5AI0; KSC494Q3H; SCHEMBL418416; Jsp005266; CHEMBL2252127; CTK3J4833; KS-00000ZZJ; NSC7317; MolPort-001-012-121; Methyl 3,5-dinitrobenzoate, 99%; ALBB-024845; NSC-7317; ZINC1683476; METHYL-3,5-DINITRO BENZOATE; BBL000013; ANW-44565; SBB068882; MFCD00017016; STK386186; 3,5-Dinitrobenzoic acid methyl e

Indication

Disease Entry	ICD 11	Status	REF
Type-2 diabetes	5A11	Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 226.14
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C8H6N2O6
  IUPAC Name: methyl 3,5-dinitrobenzoate
  Canonical SMILES: COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
  InChI: InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3
  InChIKey: POGCCFLNFPIIGW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 222067
  CAS Number: 2702-58-1
  TTD ID: D0X5AN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Insulin (INS)	TTZOPHG	INS_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Type-2 diabetes
• ICD Disease Classification: 5A11

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Insulin (INS)	DTT	INS	6.70E-01	-0.12	-0.46

References

• [1] Clinical pipeline report, company report or official report of Sanofi.
• [2] U300, a novel long-acting insulin formulation. Expert Opin Biol Ther. 2014 Dec;14(12):1849-60.