Details of the Drug

General Information of Drug (ID: DM1BGQN)

• Drug Name: 1-Methyl-1,2-dihydro-indazol-3-one
• Synonyms: 1006-19-5; 1-METHYL-1H-INDAZOL-3(2H)-ONE; 1H-Indazol-3-ol, 1-methyl-; 1,2-dihydro-1-methyl-3H-indazol-3-one; CHEMBL412905; 3H-Indazol-3-one, 1,2-dihydro-1-methyl-; 100922-97-2; 1-methyl-2,3-dihydro-1H-indazol-3-one; N-methylindazolone; 1,2-dihydro-1-methylindazol-3-one; NSC512755; 1-Methyl-1,2-dihydro-indazol-3-one; ACMC-1BUMW; AC1L6WKF; 1-methyl-3-hydroxyindazole; 1-methyl-2H-indazol-3-one; 1-Methyl-1H-indazole-3-ol; SCHEMBL2270654; SCHEMBL12998307; CTK0D9874; KS-00000SDI; ONNIFDMRZCMQQM-UHFFFAOYSA-N; MolPort-035-688-834

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); 148.16
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C8H8N2O
  IUPAC Name: 1-methyl-2H-indazol-3-one
  Canonical SMILES: CN1C2=CC=CC=C2C(=O)N1
  InChI: InChI=1S/C8H8N2O/c1-10-7-5-3-2-4-6(7)8(11)9-10/h2-5H,1H3,(H,9,11)
  InChIKey: ONNIFDMRZCMQQM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 350589
  CAS Number: 100922-97-2
  TTD ID: D0A9HL

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.