Details of the Drug

General Information of Drug (ID: DM35JQS)

• Drug Name: 2-Thiazol-5-ylmethyl-1,2-dihydro-indazol-3-one
• Synonyms: 2-(Thiazol-5-ylmethyl)-1H-indazol-3(2H)-one; 120273-62-3; CHEMBL3144715; 1,2-dihydro-2-(5-thiazolylmethyl)-3H-indazol-3-one; 2-Thiazol-5-ylmethyl-1,2-dihydro-indazol-3-one; CHEMBL267524; SCHEMBL16160907; BDBM50008996; ZINC100161259; AKOS022188370; AJ-64420; AJ-64421; AX8285840

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); 231.28
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H9N3OS
  IUPAC Name: 2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one
  Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(N2)CC3=CN=CS3
  InChI: InChI=1S/C11H9N3OS/c15-11-9-3-1-2-4-10(9)13-14(11)6-8-5-12-7-16-8/h1-5,7,13H,6H2
  InChIKey: KPXSUQVYEHMEMW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14898745
  TTD ID: D0XQ8P

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.