Details of the Drug

General Information of Drug (ID: DM17TIX)

• Drug Name: 1-Benzyl-1,2-dihydro-indazol-3-one
• Synonyms: 1-Benzyl-3-hydroxy-1H-indazole; 2215-63-6; 1-Benzyl-1H-indazol-3-ol; 1-Benzyl-1,2-dihydro-3H-indazol-3-one; 1-benzyl-2H-indazol-3-one; 1-Benzyl-1,2-dihydro-indazol-3-one; 1-benzylindazol-3-ol; CHEMBL8612; SXPJFDSMKWLOAB-UHFFFAOYSA-N; 3H-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-; 1-Benzyl-2,3-dihydroindazol-3-one; CBMicro_007258; EINECS 218-680-4; 5-Hydroxybenzydamine; AC1Q6GZH; ACMC-1CR7T; ChemDiv2_000492; 1-Benzyl-3-hydroxyindazole; AC1Q6K7E; AC1L2O7R; Oprea1_591436; Oprea1_122894; MLS001211149; SCHEMBL376005

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); 224.26
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H12N2O
  IUPAC Name: 1-benzyl-2H-indazol-3-one
  Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N2
  InChI: InChI=1S/C14H12N2O/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
  InChIKey: SXPJFDSMKWLOAB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 75181
  CAS Number: 2215-63-6
  TTD ID: D04RQG

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.