Details of the Drug

General Information of Drug (ID: DM2WZCX)

• Drug Name: 6-Nitroindazole
• Synonyms: 6-Nitro-1H-indazole; 6-Nitroindazole; 7597-18-4; 6-Nitro-2H-indazole; 6-Nitroisoindazole; 1H-INDAZOLE, 6-NITRO-; 65750-02-9; 2H-Indazole, 6-nitro-; CCRIS 3263; EINECS 231-500-9; NSC 35066; NSC 56816; BRN 0007812; CHEMBL54277; MLS000069593; ORZRMRUXSPNQQL-UHFFFAOYSA-N; SMR000059016; 6NI; 6-nitro-indazol; indazole,6-nitro; Tocris-0710; PubChem20594; Opera_ID_909; 2H-Indazole,6-nitro-; AC1Q1XVW; 6-Nitroindazole, 97%; ACMC-209p0z; AC1L2NB1; AC1Q1Y5L; MLS001148387; KSC379M3P; 5-23-06-00183 (Beilstein Handbook Reference); SCHEMBL271522

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); 163.13
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C7H5N3O2
  IUPAC Name: 6-nitro-1H-indazole
  Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])NN=C2
  InChI: InChI=1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)
  InChIKey: ORZRMRUXSPNQQL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24239
  CAS Number: 7597-18-4
  DrugBank ID: DB03100
  TTD ID: D0Y0FS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Inhibitor	[1]
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_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
Nitric-oxide synthase inducible (NOS2)	DTT	NOS2	4.24E-02	-0.27	-0.88

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.