Details of the Drug

General Information of Drug (ID: DM9G7DT)

• Drug Name: 1,2-Dihydro-indazol-3-one
• Synonyms: 1H-Indazol-3-ol; 3-Indazolinone; 7364-25-2; 1H-indazol-3(2H)-one; 100922-96-1; Indazolinone; 3-Hydroxy-1H-indazole; 3-Hydroxyindazole; 1,2-dihydroindazol-3-one; 1,2-Dihydro-3H-indazol-3-one; 3-Oxo-1,2-indazole; 3H-Indazol-3-one, 1,2-dihydro-; 3-Indazolone; 2H-Indazol-3-ol; hydroxyindazole; 2,3-Dihydro-1H-indazol-3-one; NSC 9352; UNII-8E254S9S1R; CCRIS 6800; EINECS 230-904-2; CHEMBL276725; SWEICGMKXPNXNU-UHFFFAOYSA-N; 8E254S9S1R; MFCD00005685; 1H-2-hydroindazol-3-one; benzopyrazolone; 1,2-Dihydro-indazol-3-one; 3-Oxoindazoline

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); 134.14
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C7H6N2O
  IUPAC Name: 1,2-dihydroindazol-3-one
  Canonical SMILES: C1=CC=C2C(=C1)C(=O)NN2
  InChI: InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)
  InChIKey: SWEICGMKXPNXNU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 81829
  CAS Number: 7364-25-2
  TTD ID: D0H6JC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_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
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	4.15E-01	-0.06	-0.15

References

• [1] Indazolinones, a new series of redox-active 5-lipoxygenase inhibitors with built-in selectivity and oral activity. J Med Chem. 1991 Mar;34(3):1028-36.