Details of the Drug

General Information of Drug (ID: DMU9WG0)

• Drug Name: 6-bromo-1H-indazole
• Synonyms: 6-bromo-1H-indazole; 79762-54-2; 6-Bromoindazole; 6-Bromo-2H-indazole; 1H-Indazole, 6-bromo-; CHEMBL247365; 1H-INDAZOLE,6-BROMO-; 1788080-23-8; 6-Bromo-1H-indazole, 97%; 6- Bromoindazole; PubChem7831; zlchem 1237; 6-broMo-1H indazole; 6-bromo-1-H-indazole; 6-bromanyl-1H-indazole; ACMC-209pi5; SCHEMBL5902; KSC376S4P; 6-Bromo-1H-indazole, 95%; AMBZ0200; AC1Q251Y; CTK2H6947; ZLE0012; DTXSID80591229; MolPort-029-084-056; WMKDUJVLNZANRN-UHFFFAOYSA-N; MolPort-000-001-819; ZINC8764137; KS-000002SJ; CS-D0757; BCP00386; ACN-S003161; ACT06505

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); 197.03
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C7H5BrN2
  IUPAC Name: 6-bromo-1H-indazole
  Canonical SMILES: C1=CC2=C(C=C1Br)NN=C2
  InChI: InChI=1S/C7H5BrN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
  InChIKey: WMKDUJVLNZANRN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 17842471
  CAS Number: 79762-54-2
  TTD ID: D04KUP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase brain (NOS1)	TTZUFI5	NOS1_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 brain (NOS1)	DTT	NOS1	5.20E-01	0.02	0.07

References

• [1] 4-substituted indazoles as new inhibitors of neuronal nitric oxide synthase. Bioorg Med Chem Lett. 2007 Jun 1;17(11):3177-80.