Details of the Drug

General Information of Drug (ID: DMYBNCO)

• Drug Name: 7-bromo-1H-indazole
• Synonyms: 7-bromo-1H-indazole; 53857-58-2; 7-Bromoindazole; 7-Bromo-2H-indazole; 845751-59-9; 1H-Indazole, 7-bromo-; 1H-INDAZOLE,7-BROMO-; CHEMBL439566; AK-26850; PubChem14406; 2H-Indazole, 7-bromo-; ACMC-1B1ZL; BROMOINDAZOLE(7-); T56 BMNJ IE; KSC268A6L; 7-Bromo-1H-indazole, 97%; SCHEMBL1855857; CTK1G8065; MolPort-027-946-828; MolPort-006-717-407; KMHHWCPTROQUFM-UHFFFAOYSA-N; ZX-AT005164; BCP00108; STL555654; 2999AC; FCH835100; ANW-31868; ZINC14007945; MFCD07371564; BBL101857; SBB092096; BDBM50209239; AKOS016013628; AKOS005072291; RTC-062730; RP04094

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); 2.2
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C7H5BrN2
  IUPAC Name: 7-bromo-1H-indazole
  Canonical SMILES: C1=CC2=C(C(=C1)Br)NN=C2
  InChI: InChI=1S/C7H5BrN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
  InChIKey: KMHHWCPTROQUFM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 20323899
  CAS Number: 53857-58-2
  TTD ID: D0LL3D

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.