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
  TTD ID: D09ESF

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.