Details of the Drug

General Information of Drug (ID: DM4NQY6)

• Drug Name: 5-iodo-1H-indazole
• Synonyms: 5-Iodo-1H-indazole; 55919-82-9; 5-IODOINDAZOLE; 5-IODO (1H)INDAZOLE; 5-iodanyl-1H-indazole; 1H-INDAZOLE, 5-IODO-; CHEMBL391348; AK-27902; 5-Iodo-1H-indazole, 95%; 5-Iodo(1H)indazole; 5-iodio-1H-indazole; PubChem20575; SCHEMBL264176; 5-IODO-(1H)-INDAZOLE; CTK5A4375; DTXSID00619590; CGCHCLICSHIAAM-UHFFFAOYSA-N; MolPort-000-004-505; BCP27249; CS-D1249; ZX-AT020681; KS-000003HB; OR2756; ANW-50835; ZINC14983580; CI-264; BDBM50209243; RW3195; AKOS007930518; QC-2142; CM10802; RP05949; PB10471; VI20054; TRA0057528; FCH1323980; AS-8203; CJ-14773

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); 244.03
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C7H5IN2
  IUPAC Name: 5-iodo-1H-indazole
  Canonical SMILES: C1=CC2=C(C=C1I)C=NN2
  InChI: InChI=1S/C7H5IN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
  InChIKey: CGCHCLICSHIAAM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 21894739
  CAS Number: 55919-82-9
  TTD ID: D07OVY

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.