Details of the Drug

General Information of Drug (ID: DM2QPHE)

• Drug Name: 5-bromo-1H-indazole
• Synonyms: 5-bromo-1H-indazole; 5-Bromoindazole; 53857-57-1; 5-Bromo-2H-indazole; 1h-indazole, 5-bromo-; 465529-55-9; CHEMBL16425; 5-Bromo-1H-indazole, 97%; 5-brom-1h-indazol; MLS000088501; 5-bromoazaindole; 5-bromo-indazole; 5- Bromoindazole; 5-bromo-azaindole; 5-bromo-1hindazole; AC1LFXVY; 4-Nitrotrityl chloride; PubChem15628; 5-bromo-1 h-indazole; ACMC-209lal; 5-bromanyl-1H-indazole; 2H-Indazole, 5-bromo-; SCHEMBL5562; AC1Q1H9U; KSC269G3N; cid_761929; AMBZ0279; CTK1G9336; DTXSID50354020; HID1020; STVHMYNPQCLUNJ-UHFFFAOYSA-N; MolPort-029-084-055

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: 5-bromo-1H-indazole
  Canonical SMILES: C1=CC2=C(C=C1Br)C=NN2
  InChI: InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
  InChIKey: STVHMYNPQCLUNJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 761929
  CAS Number: 53857-57-1
  TTD ID: D02OAB

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.