Details of the Drug

General Information of Drug (ID: DM7SPRJ)

• Drug Name: GNF-PF-78
• Synonyms: GNF-Pf-78; MLS000724706; SMR000237577; 2-methyl-4,9-dioxo-N-(pyridin-3-ylmethyl)benzo[f][1]benzofuran-3-carboxamide; 2-methyl-4,9-dioxo-N-(pyridin-3-ylmethyl)-4,9-dihydronaphtho[2,3-b]furan-3-carboxamide; 867135-78-2; AC1M2EUB; CHEMBL579318; cid_2142309; BDBM63230; MolPort-000-336-147; HMS2252C13; STL228961; ZINC37867960; AKOS002232614; MCULE-2786712757; AB00637219-02; BRD-K01762812-001-08-0; F1654-0382; 4,9-diketo-2-methyl-N-(3-pyridylmethyl)benzo[f]benzofuran-3-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 346.3
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C20H14N2O4
  IUPAC Name: 2-methyl-4,9-dioxo-N-(pyridin-3-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
  Canonical SMILES: CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4
  InChI: InChI=1S/C20H14N2O4/c1-11-15(20(25)22-10-12-5-4-8-21-9-12)16-17(23)13-6-2-3-7-14(13)18(24)19(16)26-11/h2-9H,10H2,1H3,(H,22,25)
  InChIKey: HSYUWLOZMGPYKC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2142309
  ChEBI ID: CHEMBL579318
  TTD ID: D09ESF
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nuclear receptor coactivator 3 (NCOA3)	TT124R0	NCOA3_HUMAN	Inhibitor	[1]
Sphingosine-1-phosphate receptor 1 (S1PR1)	TT9JZCK	S1PR1_HUMAN	Inhibitor	[1]

References

• [1] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.