Details of the Drug

General Information of Drug (ID: DMOCYDU)

• Drug Name: 5-chloro-1H-indazole
• Synonyms: 5-Chloro-1H-indazole; 698-26-0; 1H-Indazole, 5-chloro-; 5-Chloroindazole; 5-CHLORO INDAZOLE; EINECS 211-812-1; NSC 78434; BRN 0003260; CHEMBL246746; FVNCILPDWNBPLK-UHFFFAOYSA-N; AK-23822; 5-chloro-indazole; 2H-Indazole, 5-chloro-; NSC78434; 5-chloro-2H-indazole; AC1L2CF8; 5-23-06-00175 (Beilstein Handbook Reference); 5-CHLORO(1H)INDAZOLE; SCHEMBL3540025; SCHEMBL16523221; CTK2F6769; DTXSID70220091; MolPort-000-002-983; 5-Chloro-1H-indazole, AldrichCPR; ZX-CM006597; ZX-AT013670; ZINC4876880; BCP00023; ACT10091; FCH837623; BDBM50209242

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); 152.58
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C7H5ClN2
  IUPAC Name: 5-chloro-1H-indazole
  Canonical SMILES: C1=CC2=C(C=C1Cl)C=NN2
  InChI: InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
  InChIKey: FVNCILPDWNBPLK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 69681
  ChEBI ID: CHEMBL246746
  CAS Number: 698-26-0
  TTD ID: D0T9ZQ
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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.