Details of the Drug

General Information of Drug (ID: DMIY79U)

• Drug Name: GNF-PF-3832
• Synonyms: 3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one; GNF-PF-3832; 300843-87-2; AC1MCE1I; Cambridge id 5215436; Oprea1_419211; CBDivE_007454; MLS000104226; CHEMBL261693; cid_2767330; KS-00001RTF; BDBM21629; MolPort-002-136-671; HMS1578F11; HMS2748H23; ZINC196662; STK746982; MMV666021; AKOS001704735; MCULE-6620780852; SMR000051275; SR-01000507948; 3-(4-methylphenyl)indeno[1,2-c]pyridazin-5-one; 11K-012; SR-01000507948-1

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); 272.3
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H12N2O
  IUPAC Name: 3-(4-methylphenyl)indeno[1,2-c]pyridazin-5-one
  Canonical SMILES: CC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2
  InChI: InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
  InChIKey: ITHVHASAWMAMQC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2767330
  CAS Number: 300843-87-2
  TTD ID: D01YPD

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.