Details of the Drug

General Information of Drug (ID: DMP6DBX)

• Drug Name: GNF-PF-2307
• Synonyms: 3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one; GNF-PF-2307; NSC663883; 77152-22-8; CHEMBL421088; 3-phenylindeno[1,2-c]pyridazin-5-one; 5H-Indeno[1,2-c]pyridazin-5-one, 3-phenyl-; AC1Q6KMU; AC1L8E6X; Oprea1_571099; MLS000539984; cid_379337; Aza-heterocyclic Derivative, 1b; KS-00001QSP; CTK2G0333; BDBM19164; DTXSID40327521; MolPort-002-851-051; HMS2177H12; ZINC1383534; STK336084; AKOS005075114; NSC-663883; MCULE-8078785196; SMR000125442; NCI60_021916; 3-(Phenyl)-5H-indeno[1,2-c]pyridazin-5-one; SR-01000694335; 10K-057

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); 258.269
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H10N2O
  IUPAC Name: 3-phenylindeno[1,2-c]pyridazin-5-one
  Canonical SMILES: C1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2
  InChI: InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)10-15(18-19-16)11-6-2-1-3-7-11/h1-10H
  InChIKey: ORLUBUYLVCUFDE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 379337
  CAS Number: 77152-22-8
  TTD ID: D0T1YO

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.