Details of the Drug

General Information of Drug (ID: DMD1QOH)

• Drug Name: GNF-PF-2812
• Synonyms: 3-(4-Methoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one; GNF-PF-2812; NSC663884; CHEMBL125044; 147508-58-5; 3-(4-methoxyphenyl)indeno[1,2-c]pyridazin-5-one; 5H-indeno[1,2-c]pyridazin-5-one, 3-(4-methoxyphenyl)-; AC1Q6KMT; AC1L8E6Y; Oprea1_523550; CBDivE_007579; MLS000691948; cid_379338; CTK7A3357; BDBM21618; KS-00001QSJ; MolPort-002-851-046; HMS2631I03; ZINC196663; STK336082; MMV666026; Indeno[1,2-c]pyridazin-5-one, 6; AKOS005075095; MCULE-6151549558; NSC-663884; SMR000333991; NCI60_021917

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); 288.3
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H12N2O2
  IUPAC Name: 3-(4-methoxyphenyl)indeno[1,2-c]pyridazin-5-one
  Canonical SMILES: COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2
  InChI: InChI=1S/C18H12N2O2/c1-22-12-8-6-11(7-9-12)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
  InChIKey: HXQRIHGYIOARQJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 379338
  TTD ID: D0F3VE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin II receptor type-1 (AGTR1)	TT8DBY3	AGTR1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Angiotensin II receptor type-1 (AGTR1)	DTT	AGTR1	8.95E-01	1.34E-02	0.07

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.