Details of the Drug

General Information of Drug (ID: DMJYI0P)

• Drug Name: 2-Pyridin-3-ylmethyl-1,2-dihydro-indazol-3-one
• Synonyms: 2-(3-Pyridylmethyl)indazolinone; ICI-207968; 120273-58-7; CHEMBL3144579; AC1L2UZT; CHEMBL8337; SCHEMBL9596545; DTXSID90152784; BDBM50008992; ZINC100091041; AKOS023543919; 3H-Indazol-3-one,; ICI 207968

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); 225.25
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H11N3O
  IUPAC Name: 2-(pyridin-3-ylmethyl)-1H-indazol-3-one
  Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(N2)CC3=CN=CC=C3
  InChI: InChI=1S/C13H11N3O/c17-13-11-5-1-2-6-12(11)15-16(13)9-10-4-3-7-14-8-10/h1-8,15H,9H2
  InChIKey: SKZAIZCDZYPCRF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 129095
  CAS Number: 120273-58-7
  TTD ID: D0HZ9X

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] Tumour necrosis factor production in a rat airpouch model of inflammation: role of eicosanoids. Agents Actions. 1991 Mar;32(3-4):289-94.