Details of the Drug

General Information of Drug (ID: DMTFBCU)

• Drug Name: 7-Methoxy-1H-indazole
• Synonyms: 7-methoxy-1H-indazole; 133841-05-1; 1H-Indazole, 7-methoxy-; CHEMBL15921; ACMC-20aa2r; 7-METHOXYINDAZOLE; SCHEMBL5483794; SCHEMBL18003573; CTK0H0012; KS-00000DHI; DTXSID90439880; QCBANHQTMCETBI-UHFFFAOYSA-N; MolPort-009-199-308; BDBM50099399; ANW-63985; ZINC26894532; AKOS024124789; AKOS006290288; TRA0059918; AS-8550; RP01575; PB32675; RTC-062053; AN-6943; KB-46446; AC-29510; SY032798; SC-54780; AK-58155; AJ-82859; 1429222-35-4; TC-062053; DB-062996; Y7436; ST24045679; FT-0767863; 4CH-023995; CS-0043993; AM20020408; MFCD08752584 (97%); Q-2252

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); 148.16
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C8H8N2O
  IUPAC Name: 7-methoxy-1H-indazole
  Canonical SMILES: COC1=CC=CC2=C1NN=C2
  InChI: InChI=1S/C8H8N2O/c1-11-7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
  InChIKey: QCBANHQTMCETBI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10441839
  CAS Number: 133841-05-1
  TTD ID: D0P5OF

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] Inhibition of neuronal nitric oxide synthase by 7-methoxyindazole and related substituted indazoles. Bioorg Med Chem Lett. 2001 May 7;11(9):1153-6.