Details of the Drug

General Information of Drug (ID: DMIMJNU)

• Drug Name: N-(1H-indazol-5-yl)acetamide
• Synonyms: N-(1H-indazol-5-yl)acetamide; 95574-27-9; CHEMBL503641; Acetamide, N-1H-indazol-5-yl-; 5-acetylaminoindazole; SCHEMBL2565558; XGVHKKOLBJMLLQ-UHFFFAOYSA-N; MolPort-020-329-884; ZINC20495645; BDBM50246684; AKOS008998989

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); 175.19
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C9H9N3O
  IUPAC Name: N-(1H-indazol-5-yl)acetamide
  Canonical SMILES: CC(=O)NC1=CC2=C(C=C1)NN=C2
  InChI: InChI=1S/C9H9N3O/c1-6(13)11-8-2-3-9-7(4-8)5-10-12-9/h2-5H,1H3,(H,10,12)(H,11,13)
  InChIKey: XGVHKKOLBJMLLQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 17164245
  TTD ID: D0J7YE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 1 (COX-1)	TT8NGED	PGH1_HUMAN	Inhibitor	[1]
Prostaglandin G/H synthase 2 (COX-2)	TTVKILB	PGH2_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
Prostaglandin G/H synthase 2 (COX-2)	DTT	PTGS2	7.93E-04	-0.29	-0.34
Prostaglandin G/H synthase 1 (COX-1)	DTT	PTGS1	3.97E-03	0.16	0.43

References

• [1] New analgesics synthetically derived from the paracetamol metabolite N-(4-hydroxyphenyl)-(5Z,8Z,11Z,14Z)-icosatetra-5,8,11,14-enamide. J Med Chem. 2008 Dec 25;51(24):7800-5.