Details of the Drug

General Information of Drug (ID: DMKZQ3I)

• Drug Name: 4-iodo-1H-indazole
• Synonyms: 4-iodo-1H-indazole; 885522-11-2; 4-Iodoindazole; 4-IODO (1H)INDAZOLE; CHEMBL246534; zlchem 1146; PubChem21944; SCHEMBL358061; 4-Iodo-1H-indazole, 95%; 4-IODO-(1H)-iNDAZOLE; 1H-INDAZOLE, 4-IODO-; CTK8B7170; ZLD0614; DTXSID10646276; MolPort-009-197-588; CJQXSPSUIGJNJX-UHFFFAOYSA-N; ZX-RL006042; BCP26449; ZINC14983484; BDBM50209235; ANW-56585; CI-483; AKOS015853740; FCH1325887; VI20042; QC-2871; PB27826; RP05951; AS-50534; AJ-65949; EN002531; KB-39256; OR308061; AK-27887; TC-062829; DB-023141; AB0037276; ST1100625; AX8158792; Y4536; AM20041322

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); 2.2
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C7H5IN2
  IUPAC Name: 4-iodo-1H-indazole
  Canonical SMILES: C1=CC2=C(C=NN2)C(=C1)I
  InChI: InChI=1S/C7H5IN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
  InChIKey: CJQXSPSUIGJNJX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24728219
  CAS Number: 885522-11-2
  TTD ID: D03UTI

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.